data_2ys5_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ys5 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.817 0.257 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.7 3.24 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -132.0 30.94 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -65.35 141.08 97.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.74 -35.06 13.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 p -99.34 -23.0 15.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -115.55 155.7 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 58.4 m-85 -155.19 105.55 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.08 113.55 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.4 164.15 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.4 m -132.02 100.07 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -53.21 118.66 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.93 175.8 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -108.19 178.51 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -44.54 -42.64 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.81 -3.44 27.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -58.53 165.82 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.89 114.59 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 13.7 mt -94.46 -53.99 3.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.99 153.46 25.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 p -94.29 147.36 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.2 34.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.47 123.21 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.432 ' CE ' HD22 ' A' ' 47' ' ' LEU . 44.2 tpp -94.03 139.32 31.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -120.08 132.74 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 40' ' ' LEU . 8.9 mp -109.48 84.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.1 OUTLIER -114.01 140.04 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 11.8 mp0 -35.14 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 12.0 t -58.97 -71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -174.53 179.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -88.66 124.49 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -126.35 131.77 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.555 HD13 ' CZ3' ' A' ' 57' ' ' TRP . 17.5 mt -100.93 141.34 33.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -115.6 140.68 48.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.443 HG13 ' CG2' ' A' ' 82' ' ' THR . 14.2 t -141.61 157.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -137.47 151.08 48.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.555 ' CZ3' HD13 ' A' ' 47' ' ' LEU . 27.5 m-90 -139.95 114.79 7.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.69 21.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -52.88 -21.84 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' CYS . 4.3 mm? -63.62 -75.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 3.0 m -36.17 -51.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' CYS . 54.3 mt -34.74 96.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.534 ' NH1' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.76 -45.13 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -134.96 138.35 43.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 23.4 p90 -140.2 108.34 5.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.98 -162.81 12.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -160.59 169.29 23.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.935 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' SER . 5.0 m-20 -174.14 165.6 4.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 70' ' ' ASN . 5.2 m -38.11 119.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.8 p-10 32.84 42.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -146.54 126.53 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 48.3 t80 -143.83 130.79 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -148.86 168.46 22.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -151.46 146.16 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.07 131.77 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -128.01 153.22 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.534 ' N ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.47 -148.1 0.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.04 -2.32 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -84.26 -12.85 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' GLN . 10.5 p -76.94 151.53 35.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' CYS . 9.8 tt0 -37.54 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' HG13 ' A' ' 55' ' ' VAL . 27.3 p -47.42 -59.83 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.72 -173.57 16.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.7 129.97 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 87' ' ' PHE . . . 144.65 148.76 4.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.519 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.5 mt -93.64 152.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' A' ' 85' ' ' GLY . 1.0 OUTLIER -137.0 118.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.622 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.75 155.84 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -146.58 149.55 33.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -98.66 126.12 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.48 179.43 6.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 t -104.85 -24.6 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -122.98 49.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.98 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.53 -48.51 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.05 -48.17 44.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.5 mt -66.98 -31.94 55.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -37.75 67.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.0 -20.43 59.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.4 tp -92.79 -35.42 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 72' ' ' PHE . 12.4 mt -52.75 -53.65 45.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.6 -12.52 33.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.7 -36.9 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.69 -30.17 23.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.0 mtp . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.804 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.455 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 44.1 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.874 0.369 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -91.37 122.65 34.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.8 mt -95.96 158.37 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -84.35 -39.7 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -148.94 170.11 19.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.3 t80 -74.32 117.94 65.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.53 18.84 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.537 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.2 t -102.06 160.32 14.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.75 -31.89 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -98.81 96.07 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 65' ' ' TYR . 6.7 p -123.4 141.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.488 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 8.9 p-10 -105.01 77.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' B' ' 13' ' ' ASN . 18.2 m-85 -36.23 133.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.482 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.767 0.236 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.81 -0.55 43.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -124.31 29.05 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.97 140.67 97.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.77 -34.82 13.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -98.3 -20.17 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 141.88 48.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -140.84 105.46 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -68.43 114.72 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 m -112.96 165.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.0 m -133.06 99.16 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -49.72 137.2 16.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 34.7 m -132.12 -179.67 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 0.5 OUTLIER -109.94 -177.5 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.51 -38.08 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.76 -41.97 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.3 4.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' VAL . 35.7 m -79.01 169.85 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -103.36 115.1 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.2 mt -100.32 -66.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.6 135.41 7.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -86.79 153.1 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.78 170.18 36.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.0 t -121.69 122.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.7 tpp -94.32 129.73 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -113.14 130.95 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 97' ' ' ILE . 8.5 mp -98.75 87.79 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 43' ' ' SER . 37.8 p -108.29 133.66 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . 86.3 mt-30 -34.53 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' THR . 19.5 m -62.0 -65.1 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -174.49 -179.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.9 116.43 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.4 t -116.79 138.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 mt -101.47 157.87 16.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -127.01 124.48 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.4 t -118.75 159.65 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -141.39 153.18 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 14.3 m-90 -141.04 113.49 6.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.545 0.688 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 122.94 9.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -45.0 -27.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.81 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.423 ' SG ' ' CG ' ' A' ' 79' ' ' ARG . 60.6 m -49.6 -43.26 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.2 mt -41.58 97.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' CYS . 13.5 ptm180 -71.27 -38.28 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.31 156.78 42.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 7.5 p90 -151.59 124.25 8.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.97 -164.02 12.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -167.64 158.54 11.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -147.17 168.24 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -52.31 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' ND2' ' HZ3' ' A' ' 90' ' ' LYS . 5.3 p-10 -134.48 34.65 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.17 127.73 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -137.7 119.6 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.7 t -137.35 166.25 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -147.69 142.43 26.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -97.24 155.74 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -153.27 153.77 33.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -78.93 -133.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' CYS . 32.2 mtp180 -110.64 -48.94 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' CG ' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -36.11 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' ARG . 11.1 p -63.48 149.02 47.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 82' ' ' THR . 18.4 tt0 -43.65 -69.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 65.7 p -52.72 -37.34 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 85.71 -179.03 50.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLY . 3.8 pt20 -35.98 147.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.34 143.49 6.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -101.71 144.64 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -130.06 119.73 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.441 ' HB2' ' CD1' ' B' ' 4' ' ' LEU . . . -101.93 165.97 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -156.03 136.37 13.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' HZ3' ' ND2' ' A' ' 70' ' ' ASN . 28.2 mttm -88.31 116.73 26.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.0 p -132.49 -179.22 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 t -114.89 -19.56 10.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -119.61 43.56 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.52 -60.76 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 98' ' ' PHE . 9.3 tt0 -43.92 -57.24 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -38.36 -56.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 40' ' ' LEU . 10.5 mt -61.35 -33.07 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -71.76 -32.73 68.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -83.23 -19.56 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tt -93.77 -33.29 13.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 mt -58.13 -63.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -50.86 -22.57 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.61 -30.24 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.78 -37.67 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 71.6 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.809 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.1 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.74 110.12 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 88' ' ' ALA . 13.6 mt -82.5 169.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.563 ' HB3' ' CD2' ' B' ' 6' ' ' HIS . 44.2 mtm-85 -101.91 -41.67 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' B' ' 5' ' ' ARG . 6.9 m-70 -135.68 -179.16 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -93.46 120.36 66.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -47.23 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -56.86 140.28 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.72 -47.0 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.46 87.5 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -106.89 146.22 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 19.3 p-10 -116.1 94.0 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -48.71 140.0 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.837 0.265 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 5.59 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -133.27 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.34 140.73 88.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.643 0.735 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 54.4 Cg_endo -69.72 -26.87 27.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.9 p -105.06 -24.67 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 120.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.24 105.51 9.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -70.38 111.85 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.34 173.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m -142.95 105.08 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -54.96 120.66 7.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.5 m -118.64 163.22 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.516 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 6.5 p-10 -95.87 -178.57 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -41.05 59.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.97 -35.93 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.86 3.26 25.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -69.17 164.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.44 106.99 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.63 -60.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.69 146.98 18.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.3 p -90.52 148.17 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.77 169.49 36.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.7 t -127.17 121.63 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.9 tpp -93.44 128.36 39.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -110.08 133.19 53.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.444 ' CD1' HG22 ' A' ' 97' ' ' ILE . 6.7 mp -102.62 99.39 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' SER . 71.4 p -113.96 137.73 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -39.83 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 7.3 m -73.76 -71.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -161.36 -176.23 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -92.08 134.02 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.3 t -133.45 145.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.0 mt -109.38 162.83 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' C ' HD22 ' A' ' 49' ' ' LEU . 96.4 m-70 -133.17 108.72 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.885 0.374 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.559 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 5.7 t -115.4 146.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -133.92 175.06 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.559 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 24.3 m-90 -155.44 121.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.77 121.87 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.248 . . . . 0.0 112.377 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -41.98 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' PRO . 3.9 mm? -68.28 -68.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.9 m -43.69 -34.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.7 mt -52.29 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -125.71 146.84 49.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 43.6 p90 -144.44 110.95 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.91 -159.5 12.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.406 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 2.7 p90 -164.24 165.97 21.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -174.19 161.22 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.9 t -41.03 128.31 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.0 p-10 32.12 36.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.6 tm? -146.3 127.57 14.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -146.23 116.59 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -131.34 168.88 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -160.19 139.75 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -97.58 161.67 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 p -154.47 154.15 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.69 -139.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -123.36 -22.48 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -66.73 -13.95 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.0 p -60.02 175.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.36 -44.92 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.444 HG23 ' CZ2' ' A' ' 57' ' ' TRP . 37.6 p -67.29 -32.75 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 93.6 154.22 30.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' GLY . 3.5 pt20 -35.11 132.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.05 147.17 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.5 mt -95.36 141.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -130.56 116.24 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.8 150.03 25.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.433 ' CD2' ' HA ' ' A' ' 25' ' ' ASN . 4.0 m-85 -142.71 143.69 32.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -85.16 130.17 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.2 t -169.23 111.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -59.66 -21.74 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 36.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.46 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.01 -58.5 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -42.43 -43.96 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 40' ' ' LEU . 10.0 mt -72.7 -35.73 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -73.43 -23.64 60.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -89.71 -24.82 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 100' ' ' LEU . 1.4 tt -91.05 -26.31 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.14 -55.95 23.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.5 -17.74 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.52 -34.69 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.7 mt -87.62 -42.07 12.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 37.3 mmm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.825 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 32.4 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 mt -85.58 -178.03 6.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -107.61 -27.89 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -155.95 -177.35 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 2.3 t80 -94.39 120.23 65.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.762 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -45.62 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.422 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 8.6 m -50.41 140.64 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.92 -39.45 2.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -103.9 82.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.99 161.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.545 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 1.8 t30 -131.26 96.49 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.56 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.774 0.239 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.428 ' N ' ' HZ1' ' A' ' 22' ' ' LYS . 9.3 t0 -94.09 -1.06 54.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -103.86 -11.77 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 2.6 t-80 -44.22 120.51 3.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.09 32.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.493 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 22.7 p -97.26 -28.03 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 9.1 mptt -109.87 152.49 25.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.4 m-85 -154.83 105.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.428 ' HZ1' ' N ' ' A' ' 15' ' ' ASP . 12.2 mtmt -61.95 122.64 15.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -121.04 165.47 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -135.74 110.29 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.31 130.75 48.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.8 170.72 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 0.6 OUTLIER -105.18 -174.98 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.35 -42.97 61.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.27 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.07 0.48 26.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -60.55 165.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -103.75 115.12 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 17.6 mt -92.26 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.54 155.49 23.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.0 p -98.32 144.23 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.74 164.43 31.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -117.97 121.69 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.9 ttm -93.19 134.94 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.19 132.05 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' CD1' HG21 ' A' ' 97' ' ' ILE . 8.4 mp -101.85 112.13 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -127.9 139.43 52.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -38.95 -32.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.9 m -66.49 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -170.69 -176.66 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -89.32 132.2 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.3 t -131.18 138.34 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -106.81 158.17 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -126.83 119.74 27.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.825 0.345 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.504 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 40.9 t -122.18 154.25 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -129.8 142.71 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.504 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 16.5 m-90 -135.42 114.08 11.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 132.08 22.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -49.86 -18.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' CYS . 5.7 mt -74.97 -73.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 63' ' ' ARG . 90.1 m -37.16 -38.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 mt -40.91 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' CYS . 11.0 mmm180 -59.92 -36.03 76.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -166.88 149.59 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.437 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 51.4 p90 -143.44 114.86 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.38 -161.55 12.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -162.08 161.34 28.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.0 m-20 -151.23 166.38 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ASP . 5.8 m -36.69 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -123.8 37.35 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -146.82 139.23 24.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -145.87 121.59 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 88' ' ' ALA . 30.0 t -136.32 160.24 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 5.1 p90 -147.99 149.19 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -105.98 166.21 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -148.82 153.53 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.18 -147.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.83 -27.97 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.89 -14.32 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.93 163.12 22.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -59.72 -65.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.1 p -49.83 -33.47 16.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.8 177.79 40.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -51.16 147.06 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.11 149.57 6.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 81.6 mt -98.88 148.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -133.43 124.04 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -107.58 159.99 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 3.5 m-85 -149.95 143.43 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -94.31 139.0 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.87 173.69 14.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.5 p -109.74 -12.53 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -120.34 28.38 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -40.03 -49.77 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 36.0 tt0 -53.43 -53.11 55.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -40.96 -50.12 3.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' A' ' 40' ' ' LEU . 9.8 mt -68.16 -33.36 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -76.89 -19.16 57.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.468 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 29.0 m-20 -88.86 -23.93 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.4 tp -94.68 -26.42 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.4 mt -58.02 -59.29 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -59.34 -22.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -30.53 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.7 mt -94.2 -31.47 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.854 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 18.7 t80 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -74.14 127.36 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 mt -100.33 178.56 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.94 -35.13 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -123.15 175.08 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 1.8 t80 -109.96 111.68 58.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' B' ' 9' ' ' CYS . 53.9 Cg_endo -69.68 -40.96 4.82 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 79.9 m -36.85 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.55 -67.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -83.61 59.42 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 13' ' ' ASN . 7.4 p -70.66 143.91 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' B' ' 14' ' ' TYR . 6.0 t30 -107.71 77.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' B' ' 13' ' ' ASN . 25.1 m-85 -36.21 134.27 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.748 0.228 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.62 -1.61 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -127.1 31.66 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -62.17 139.48 96.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.72 27.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 p -106.08 -22.78 12.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -117.12 138.53 51.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -135.58 105.53 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -68.39 105.13 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.68 168.79 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 m -133.42 105.95 7.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 128.65 38.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.491 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 27.2 m -128.92 173.95 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.552 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 0.8 OUTLIER -104.09 -174.6 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -41.98 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.63 -35.97 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.95 24.17 5.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 26' ' ' VAL . 13.5 m -83.73 164.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -98.09 109.33 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.7 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.2 155.56 26.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -87.45 158.29 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.38 165.06 35.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.2 t -121.44 120.88 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.9 ttm -98.76 137.26 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -117.96 130.61 56.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.54 91.13 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -127.41 141.25 51.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 68.4 mm-40 -35.15 -45.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -47.59 -71.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -174.25 175.11 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -87.57 134.23 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.02 142.31 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.567 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 15.4 mt -122.36 125.63 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -104.87 100.09 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.566 HG12 ' CZ2' ' A' ' 57' ' ' TRP . 5.1 t -142.24 146.24 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -120.05 147.82 44.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.567 ' CZ3' HD12 ' A' ' 47' ' ' LEU . 25.9 m-90 -135.73 112.09 10.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.79 117.82 5.31 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -38.97 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' PRO . 4.8 mt -58.55 -50.73 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.7 p -63.82 -34.46 77.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.78 108.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 ttt85 -111.3 -54.08 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' B' ' 7' ' ' PHE . 4.0 ttp180 -105.82 105.63 15.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 35.0 p90 -135.57 115.39 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 -153.62 8.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -158.37 174.49 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -172.08 -175.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 104.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 6.5 t30 52.31 36.62 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.84 133.45 20.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -146.03 118.64 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -132.93 166.74 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -157.3 160.96 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -97.22 166.36 11.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 t -152.83 145.5 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -77.33 -151.75 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -28.46 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -63.38 -15.16 56.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.8 p -78.33 163.5 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -53.82 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.8 p -50.47 -53.42 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.0 175.21 26.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.7 mt-30 -41.23 149.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.41 141.31 4.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 87' ' ' PHE . 77.2 mt -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.432 ' N ' HG21 ' A' ' 86' ' ' ILE . 34.0 m-85 -122.01 126.18 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -106.65 158.8 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -150.23 140.65 22.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -93.3 127.97 39.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 p -162.02 128.39 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -64.35 -11.15 29.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -111.32 31.08 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.4 -51.5 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.88 -54.26 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.37 -53.13 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.97 -35.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -23.55 59.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -86.77 -22.87 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.5 tp -93.98 -30.92 14.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.65 -60.43 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -54.66 -29.63 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -39.18 90.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.79 -26.45 44.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 10.5 mmm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 14.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.472 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 11.5 ptp180 -78.22 127.58 32.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 31.4 mt -104.25 166.77 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -102.59 -41.26 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -128.3 168.98 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.467 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 2.2 t80 -89.61 117.52 68.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.651 0.738 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.35 8.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' B' ' 10' ' ' GLY . 2.9 t -117.37 160.58 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.49 ' N ' ' SG ' ' B' ' 9' ' ' CYS . . . -129.96 -24.75 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.86 53.26 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.43 HG21 ' N ' ' B' ' 13' ' ' ASN . 2.0 p -77.92 150.25 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.43 ' N ' HG21 ' B' ' 12' ' ' VAL . 6.3 t30 -124.23 77.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -46.71 144.15 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.761 0.234 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.96 8.28 30.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.7 8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -44.99 139.26 3.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.331 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 p -95.55 -24.73 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -116.42 144.99 43.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -140.22 105.1 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -70.45 115.26 9.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -112.62 165.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.5 m -134.8 99.18 4.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -53.2 130.75 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.33 173.88 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.532 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.4 p-10 -104.05 -178.13 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.93 -45.49 51.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.71 -41.11 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.06 3.28 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 m -66.15 164.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -100.22 117.09 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.8 mt -100.43 -64.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.72 124.28 3.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -84.15 140.17 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.09 170.88 28.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -117.07 123.79 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.437 ' CG ' HD23 ' A' ' 45' ' ' LEU . 37.2 tpp -95.87 131.51 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -115.55 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.87 95.33 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 43' ' ' SER . 76.2 p -112.38 137.41 50.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.4 mp0 -37.74 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.5 t -69.38 -67.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -170.39 -179.04 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 HD12 ' CD2' ' A' ' 101' ' ' LEU . 8.3 mt -88.28 130.17 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.74 142.48 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.8 mt -105.16 160.78 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -131.92 103.02 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.517 HG13 ' CZ2' ' A' ' 57' ' ' TRP . 7.6 t -128.34 151.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -130.76 134.94 47.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CZ2' HG13 ' A' ' 55' ' ' VAL . 21.7 m-90 -127.12 112.95 21.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.74 121.13 7.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -39.45 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' PRO . 4.0 mm? -67.64 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.3 m -49.28 -32.18 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.22 99.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -69.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HB2' ' CG2' ' B' ' 12' ' ' VAL . 14.1 ptt180 -127.16 160.74 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 8.0 p90 -144.84 119.43 9.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.73 -174.19 20.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.35 174.81 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -173.43 173.89 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 p -51.19 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -125.33 35.91 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.17 132.35 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -143.25 110.51 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -130.4 161.89 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -152.04 142.98 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -104.39 147.19 27.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -145.34 152.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.64 -166.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -100.51 -15.9 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -64.34 -12.95 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -80.17 171.45 15.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -58.75 -68.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.0 p -46.1 -39.64 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 169.34 43.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 14.5 pt20 -40.53 116.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.82 143.26 3.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.548 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 87' ' ' PHE . 42.7 mt -94.97 152.29 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 20.1 m-85 -140.54 123.71 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.504 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -104.3 156.88 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 12.6 m-85 -150.7 135.22 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -84.45 129.0 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.42 116.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -60.27 -14.8 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.413 ' NE ' ' HG2' ' A' ' 96' ' ' GLU . 12.7 tpt180 -99.25 29.16 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -62.16 -67.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 8.8 tt0 -33.18 -62.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.413 ' HG2' ' NE ' ' A' ' 93' ' ' ARG . 1.2 mp0 -38.38 -53.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.67 -33.24 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -76.58 -18.59 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -92.27 -22.99 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.46 -32.48 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.44 ' CD2' HD12 ' A' ' 45' ' ' LEU . 11.2 mt -57.64 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -49.22 -29.63 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.43 -33.6 74.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.4 mt -89.84 -32.38 16.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.4 mmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.9 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -87.21 115.15 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.9 mt -88.54 167.62 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -110.55 -42.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -127.2 150.0 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.42 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 1.9 t80 -72.86 117.25 58.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -42.3 3.55 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 85.3 m -83.6 98.66 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.41 -43.52 87.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.79 89.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 64' ' ' ARG . 12.0 p -113.57 151.06 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.572 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 24.1 p-10 -126.8 94.71 4.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -47.2 137.68 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.797 0.249 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -121.17 13.74 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -125.58 0.26 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -43.79 133.45 3.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -18.94 36.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.8 p -113.02 -29.04 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -108.06 130.72 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.496 ' CD1' HG12 ' A' ' 97' ' ' ILE . 40.6 m-85 -130.74 108.08 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -63.24 110.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -105.91 174.03 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -136.61 109.32 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.19 118.27 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.9 m -122.12 173.53 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.529 ' HB2' ' CZ ' ' B' ' 2' ' ' PHE . 2.7 p-10 -108.26 -176.61 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -40.08 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.75 -34.27 76.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.56 8.22 23.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.62 164.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -101.8 113.28 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -94.21 -57.6 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.08 144.74 13.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -86.42 145.09 26.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.47 169.52 31.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -125.5 123.46 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.6 tpp -94.91 133.92 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -121.06 133.58 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -102.66 125.15 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -139.4 151.51 46.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -54.17 -14.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.95 -64.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.91 -178.46 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.7 141.78 28.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.74 149.66 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.83 147.08 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -124.52 116.02 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 t -105.4 146.68 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.26 161.02 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 19.9 m-90 -146.52 113.81 4.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 131.01 20.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -48.46 -27.84 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.32 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.7 p -53.61 -38.96 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.6 mt -47.49 88.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.4 mmm-85 -53.8 -40.75 66.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -156.96 156.8 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.463 ' HH ' ' ND2' ' B' ' 13' ' ' ASN . 43.7 p90 -147.09 109.23 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.45 -158.56 11.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -167.23 170.51 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -172.71 163.26 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' LEU . 46.2 t -42.55 129.01 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 69' ' ' SER . 33.2 t30 32.87 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.3 tm? -153.27 126.47 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -145.99 117.97 8.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.1 t -131.04 167.32 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -152.8 142.05 21.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -98.6 154.87 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -149.56 145.29 26.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.03 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 78' ' ' ARG . 5.1 ppt_? -105.45 -17.04 14.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -67.6 -12.81 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' GLN . 7.5 p -78.31 145.81 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' CYS . 14.0 tt0 -34.53 -70.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.426 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 71.5 p -46.1 -56.75 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 119.61 -173.92 15.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -57.95 132.33 53.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.0 148.93 4.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.1 mt -100.93 149.88 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.371 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -136.79 135.57 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.1 148.65 42.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -141.42 137.23 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -84.46 147.33 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.0 178.56 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -111.63 -21.89 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -118.8 45.56 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.76 79.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.88 -53.56 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -44.2 -45.22 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.496 HG12 ' CD1' ' A' ' 21' ' ' PHE . 11.0 mt -71.7 -34.18 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -76.84 -20.81 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -90.01 -22.58 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' CD2' HD11 ' A' ' 104' ' ' LEU . 1.4 tt -90.95 -38.99 12.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.66 -53.57 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -63.75 -13.88 47.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -83.16 -30.92 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.419 HD11 ' CD2' ' A' ' 100' ' ' LEU . 21.0 mt -93.97 -32.83 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 81.6 mtp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.883 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 47.9 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -83.95 114.41 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.47 168.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -104.2 -34.4 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.28 173.01 12.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.5 t80 -83.03 119.5 74.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.722 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -5.09 15.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.463 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.5 t -111.08 158.92 18.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.14 -26.15 1.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -99.97 82.55 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.74 151.38 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.463 ' ND2' ' HH ' ' A' ' 65' ' ' TYR . 1.7 t30 -120.54 86.45 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -39.05 151.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.846 0.269 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.14 -5.46 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -128.54 41.94 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 1.8 t-80 -75.57 134.95 72.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.18 32.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.546 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 25.7 p -107.57 -27.72 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 1.6 mppt? -113.31 159.21 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.5 m-85 -157.03 105.02 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 143.49 34.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.64 174.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.0 m -150.35 116.7 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.42 107.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 m -112.19 163.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HB2' ' CZ ' ' B' ' 2' ' ' PHE . 22.2 p-10 -102.33 -176.45 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' CG ' HD21 ' B' ' 4' ' ' LEU . 3.4 m-20 -47.0 -49.42 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.65 -32.92 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 0.04 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 27' ' ' ASP . 18.4 m -58.54 164.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -95.5 103.53 15.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 24.0 mt -80.63 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.79 131.71 5.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 p -86.98 134.7 33.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.35 168.11 35.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.4 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.466 ' CG ' HD23 ' A' ' 45' ' ' LEU . 22.8 tpp -86.11 128.44 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -114.17 130.65 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 97' ' ' ILE . 9.1 mp -99.72 88.47 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 43' ' ' SER . 18.3 p -108.01 135.18 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.2 mp0 -36.04 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 41' ' ' THR . 18.7 m -66.97 -65.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -172.82 -177.68 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' A' ' 38' ' ' MET . 11.3 mt -88.85 116.1 26.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 47' ' ' LEU . 88.6 t -118.25 137.78 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 ' N ' HG13 ' A' ' 46' ' ' VAL . 32.6 mt -100.91 147.06 26.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.94 116.8 26.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.0 t -93.49 143.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -126.69 149.51 49.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -138.26 112.55 8.69 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 125.11 11.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.98 -21.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.96 -48.1 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.73 -33.83 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.29 90.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -80.66 -53.87 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -120.45 127.6 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.523 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 18.1 p90 -139.48 117.32 11.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.01 -164.63 17.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -165.76 149.07 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -141.71 169.24 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -43.56 -65.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -125.07 37.35 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 HD11 ' CG ' ' B' ' 8' ' ' PRO . 0.6 OUTLIER -151.8 120.73 6.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -131.21 106.01 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.1 t -119.18 160.18 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.49 139.56 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.97 157.09 16.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 m -152.67 152.15 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.39 -150.44 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.69 -31.73 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -48.52 -26.23 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.0 p -67.67 166.58 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -58.76 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p -49.82 -46.36 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.41 -179.76 22.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.64 158.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.16 149.83 9.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -90.71 145.54 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -126.86 118.33 24.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.34 157.12 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -153.05 135.89 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -86.12 119.45 26.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.0 t -138.5 167.71 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -100.54 -47.07 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -98.02 53.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -55.2 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 98' ' ' PHE . 12.1 tt0 -35.12 -61.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 95' ' ' GLU . 6.0 mm-40 -37.39 -57.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.447 HG21 ' CD1' ' A' ' 40' ' ' LEU . 16.4 mt -58.5 -32.08 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.24 -32.36 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -83.44 -26.28 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 tt -85.78 -36.65 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.45 -68.53 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -39.65 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.32 -37.16 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.0 mt -85.64 -33.97 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.6 mtp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' B' ' 3' ' ' ARG . 56.5 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.637 ' N ' ' HE ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.35 119.85 39.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.427 HD21 ' CG ' ' A' ' 28' ' ' ASP . 11.6 mt -91.53 167.77 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -104.35 -42.46 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -137.62 157.92 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -76.09 116.85 59.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.459 ' CG ' HD11 ' A' ' 71' ' ' LEU . 53.1 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -63.82 155.81 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.32 -67.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.48 98.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.382 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.75 133.01 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.523 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 5.8 t30 -110.8 80.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' B' ' 13' ' ' ASN . 33.4 m-85 -35.78 144.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.748 0.228 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.85 1.68 14.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -132.09 35.21 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.504 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -67.25 139.45 94.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.8 -28.7 24.72 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.0 p -98.12 -33.33 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 151.41 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -145.62 105.87 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -67.36 119.9 12.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.77 166.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -131.36 117.33 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.5 106.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.432 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 33.3 m -120.44 164.48 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.52 -174.02 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' N ' HD22 ' B' ' 4' ' ' LEU . 18.2 t70 -52.48 -48.8 65.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.65 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.25 1.83 4.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.432 ' O ' ' CB ' ' A' ' 26' ' ' VAL . 2.8 t -54.09 154.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -103.72 107.15 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.31 -63.96 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.16 171.44 23.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -106.72 151.56 24.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.22 163.6 35.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.07 121.32 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.437 ' CG ' HD22 ' A' ' 45' ' ' LEU . 34.1 tpp -92.0 130.26 37.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -112.26 131.48 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mp -99.43 92.86 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' SER . 77.7 p -113.2 134.86 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' THR . 15.6 mm-40 -34.77 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' THR . 16.7 t -62.97 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -171.8 179.1 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.437 HD22 ' CG ' ' A' ' 38' ' ' MET . 12.8 mt -87.6 130.76 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -134.3 142.36 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.3 mt -104.04 165.81 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -133.54 109.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.564 HG13 ' CH2' ' A' ' 57' ' ' TRP . 41.4 t -101.69 134.04 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -123.35 170.06 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.564 ' CH2' HG13 ' A' ' 55' ' ' VAL . 7.3 m-90 -155.53 112.64 2.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.609 0.718 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.76 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' PRO . 24.3 m-85 -34.81 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 58' ' ' PRO . 2.0 tt -54.59 -61.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 p -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 84.1 mt -59.51 80.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 70.8 mtt180 -82.45 -54.8 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HG3' ' CG2' ' B' ' 12' ' ' VAL . 48.3 ttp180 -104.98 118.11 35.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.464 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 24.3 p90 -138.41 118.27 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.65 -160.24 14.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -164.32 175.09 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -169.27 169.07 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -40.5 -63.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -132.16 43.43 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -150.44 125.52 9.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -134.84 115.3 13.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.0 t -129.26 167.07 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -156.31 154.23 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.505 ' CD ' ' CG1' ' A' ' 86' ' ' ILE . 4.1 mm-40 -97.12 162.41 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 98.7 p -152.89 135.82 15.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.33 -127.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -128.4 -47.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -49.59 -23.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.8 p -63.41 174.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -68.34 -62.05 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 p -56.85 -36.08 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 77.37 171.03 35.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' GLY . 38.6 mt-30 -33.74 133.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.22 133.61 3.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.505 ' CG1' ' CD ' ' A' ' 75' ' ' GLU . 70.7 mt -91.03 145.99 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.87 122.74 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.34 145.22 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 89' ' ' PHE . 1.9 m-85 -137.68 146.63 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -90.71 115.24 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.1 t -130.96 151.37 51.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -80.58 -35.34 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -110.82 46.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.19 -55.01 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 10.1 tt0 -47.9 -57.78 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.26 -55.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 13.4 mt -59.87 -32.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -75.5 -25.6 57.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -88.91 -24.61 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 tt -91.34 -30.72 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' ' 45' ' ' LEU . 10.9 mt -55.24 -64.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -49.91 -33.68 18.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.57 -37.06 77.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.9 mt -88.88 -41.4 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 61.3 mtp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.816 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 31.0 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -94.43 116.85 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 28' ' ' ASP . 14.2 mt -84.42 171.6 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -113.3 -43.01 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -123.89 148.9 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.8 114.99 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.76 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -62.08 146.44 50.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.43 0.53 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.09 92.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 64' ' ' ARG . 6.2 p -114.47 140.38 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.464 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 4.0 t30 -121.49 84.16 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' B' ' 13' ' ' ASN . 42.7 m-85 -36.33 145.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.788 0.245 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.23 1.98 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -131.17 34.82 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.505 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 1.8 t-80 -68.77 136.56 90.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.557 0.694 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -31.6 20.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.454 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 41.4 p -100.28 -21.05 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -116.33 135.93 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -139.73 107.39 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -69.19 123.29 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.92 -175.39 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.9 m -151.98 106.03 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -51.45 128.64 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -133.59 167.03 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 0.6 OUTLIER -104.64 -179.39 3.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.35 -52.76 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.21 -25.78 64.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.48 -0.92 46.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -55.5 163.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -104.92 108.8 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.29 -61.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.72 127.59 4.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -84.06 142.29 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.62 170.83 31.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.42 124.13 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.0 ttm -98.05 121.52 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -110.21 130.63 55.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -97.53 91.2 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' SER . 36.7 p -108.74 135.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -38.19 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.8 m -66.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -172.08 179.56 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.9 127.89 35.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.8 t -125.59 148.04 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -115.28 152.58 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.26 109.57 12.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.407 HG11 ' CG2' ' A' ' 82' ' ' THR . 4.7 t -117.72 157.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -136.6 157.58 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -152.73 113.98 2.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 125.63 12.41 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -42.6 -28.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.49 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m -48.3 -43.97 33.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.1 mt -40.71 94.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' CYS . 47.1 mtt180 -53.98 -49.47 68.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HD2' ' CE2' ' B' ' 7' ' ' PHE . 0.8 OUTLIER -152.31 164.8 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.554 ' CE2' ' OD1' ' B' ' 13' ' ' ASN . 46.3 p90 -141.87 123.47 15.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.8 -164.51 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 4.4 p90 -162.38 170.26 19.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.89 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' SER . 25.0 m-20 -163.97 165.51 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' ASP . 26.1 t -37.75 -65.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -131.46 37.08 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' B' ' 8' ' ' PRO . 2.5 tm? -145.08 140.0 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -145.64 119.35 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.6 t -132.55 155.1 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -144.95 144.31 30.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -100.29 143.66 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -130.08 153.63 48.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.85 -138.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -124.85 -41.5 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 3.2 ptp180 -58.06 -15.81 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.13 155.15 11.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.453 ' HG2' ' N ' ' A' ' 82' ' ' THR . 9.3 tt0 -45.46 -67.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 19.1 p -58.3 -43.54 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.89 -178.47 27.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.5 139.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.87 134.8 2.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.8 mt -93.97 134.98 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.52 122.13 37.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.19 155.06 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -145.71 154.39 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -102.47 132.44 48.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 43.5 t -161.14 161.95 31.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 t -92.14 -40.39 11.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -92.5 35.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.64 -32.94 69.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.434 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 39.4 tt0 -66.14 -59.74 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -48.05 -22.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.0 mt -78.94 -33.92 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -74.74 -43.78 53.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.585 ' OD1' ' CZ ' ' A' ' 98' ' ' PHE . 61.8 m-20 -66.66 -37.42 84.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.3 tp -73.99 -34.8 64.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.32 -49.6 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.51 ' NE2' ' ND2' ' B' ' 13' ' ' ASN . 14.7 pt20 -67.21 -18.74 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.35 -29.62 34.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.19 -39.7 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.7 mtp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.839 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 13.0 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.876 0.37 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -82.15 129.99 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 mt -94.05 -179.32 4.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.49 -27.2 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -143.16 164.09 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.9 t80 -89.87 117.51 68.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.46 ' CG ' HD11 ' A' ' 71' ' ' LEU . 54.0 Cg_endo -69.75 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.45 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 63.6 m -50.85 139.09 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.7 -52.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -80.87 98.98 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.454 HG22 ' N ' ' B' ' 13' ' ' ASN . 7.6 p -120.72 137.89 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.554 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 9.0 p-10 -116.21 83.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 47.1 m-85 -34.35 149.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.794 0.248 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.65 2.55 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 4.8 t30 -111.34 -3.13 15.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -42.12 132.01 2.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' O ' ' CZ ' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.78 -33.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 p -94.33 -21.29 19.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.38 135.57 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 18' ' ' PRO . 65.2 m-85 -136.02 118.82 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -83.55 113.37 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.88 -175.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.3 m -159.18 109.81 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.98 112.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -117.09 178.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -115.31 -175.76 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.21 -48.85 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.55 -38.86 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.7 16.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -62.89 164.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -100.43 105.47 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.79 -60.13 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.23 129.32 4.52 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -84.15 142.04 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.94 169.61 34.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -120.65 121.1 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.4 tpp -91.52 131.8 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -118.23 130.66 56.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 97' ' ' ILE . 6.3 mp -100.69 97.22 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' GLN . 50.7 p -113.06 137.92 50.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.9 mp0 -34.67 -37.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' THR . 32.7 m -62.18 -67.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -171.64 -175.34 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.18 133.8 33.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.1 138.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 mt -100.79 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -130.25 108.37 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.516 HG13 ' CZ2' ' A' ' 57' ' ' TRP . 21.4 t -108.17 151.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -139.68 160.86 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.516 ' CZ2' HG13 ' A' ' 55' ' ' VAL . 10.7 m-90 -151.83 114.39 2.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.74 123.59 10.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -39.43 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 mt -66.3 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.2 m -44.38 -39.19 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.3 mt -50.29 112.75 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -95.77 -32.62 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.69 130.69 15.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 65' ' ' TYR . 53.4 p90 -143.74 108.67 4.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.43 -162.69 11.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 12.8 p90 -147.99 172.71 13.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -170.0 -175.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -63.24 109.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 44.85 32.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.94 126.94 22.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CZ ' HG21 ' A' ' 97' ' ' ILE . 44.6 t80 -136.16 114.41 11.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -133.66 157.77 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -149.71 138.65 21.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.55 159.42 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.8 m -154.49 153.48 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.29 -153.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -15.82 12.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.67 -13.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.77 178.56 4.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -66.42 -70.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.7 p -50.84 -33.0 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 -171.4 30.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -60.93 155.88 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.56 148.91 7.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.9 mt -98.31 126.62 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -110.85 123.34 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.502 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.99 154.06 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.4 m-85 -148.5 146.97 28.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -89.25 116.35 27.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.9 t -126.99 166.05 18.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.3 m -93.79 -36.2 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.46 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 49.1 mtp180 -112.44 47.81 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -44.84 -54.58 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 98' ' ' PHE . 24.5 tt0 -51.89 -57.02 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 93' ' ' ARG . 26.6 mm-40 -38.36 -55.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.454 HG23 ' CD1' ' A' ' 40' ' ' LEU . 21.2 mt -59.33 -33.79 52.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -77.89 -21.28 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -91.55 -28.08 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.95 -35.4 20.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.1 mt -47.34 -64.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -53.52 -33.1 53.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.56 -26.02 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.1 mt -89.68 -34.02 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mtt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.52 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 37.1 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.52 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 2.0 mpp_? -105.89 136.33 45.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.427 HD11 ' CB ' ' A' ' 88' ' ' ALA . 29.1 mt -105.76 166.89 10.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -103.06 -40.16 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -131.19 127.96 39.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.0 t80 -51.85 120.17 15.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.662 0.744 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.24 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.459 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 75.8 m -67.91 127.58 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.67 -77.42 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -60.05 113.66 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 65' ' ' TYR . 13.6 p -133.63 152.77 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.9 t30 -131.19 80.05 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 13' ' ' ASN . 30.4 m-85 -37.59 144.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.768 0.236 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.17 -0.79 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -133.43 38.52 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.556 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 t-80 -71.09 142.68 87.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.556 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.8 -45.59 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.2 p -85.94 -27.17 25.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HE2' ' ND1' ' A' ' 17' ' ' HIS . 1.6 mppt? -109.24 141.17 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 18' ' ' PRO . 97.0 m-85 -139.51 106.2 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -68.76 110.08 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -113.71 165.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.6 m -133.9 103.13 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -53.78 126.47 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 31' ' ' VAL . 23.9 m -125.7 -179.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.538 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.6 p-10 -108.7 -176.6 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.457 ' HA ' ' CD2' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -53.9 -40.31 66.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.94 -35.52 80.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.84 17.04 8.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 12.4 m -78.27 164.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -99.77 108.83 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.0 mt -90.61 -56.45 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.77 143.4 10.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -84.27 142.97 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -145.08 162.63 28.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -112.18 122.07 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.7 tpp -99.8 132.48 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -123.48 130.99 53.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.403 ' CD1' HG23 ' A' ' 97' ' ' ILE . 8.2 mp -101.05 93.02 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' SER . 60.6 p -108.5 135.16 50.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -40.4 -26.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' THR . 71.4 m -72.11 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -174.11 -179.22 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.48 132.7 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -124.34 145.62 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.513 HD13 ' CH2' ' A' ' 57' ' ' TRP . 9.2 mt -123.22 140.67 52.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -130.26 119.22 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.62 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.574 HG13 ' CH2' ' A' ' 57' ' ' TRP . 45.1 t -83.85 132.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -110.85 139.56 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.574 ' CH2' HG13 ' A' ' 55' ' ' VAL . 6.6 m-90 -123.94 111.86 28.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.13 3.27 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -43.12 -25.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.14 -65.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 63' ' ' ARG . 78.8 m -48.74 -43.99 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' CYS . 13.8 mt -35.85 93.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' CYS . 41.2 mmm-85 -67.41 -48.72 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 75' ' ' GLU . 7.5 ptt-85 -144.29 143.12 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -139.27 112.71 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.13 -164.71 20.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.556 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -163.38 173.25 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.14 164.15 17.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -41.94 -58.87 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.26 39.95 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.31 127.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -141.22 112.73 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.416 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . 26.2 t -131.13 163.85 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -148.32 137.66 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 15.9 tt0 -97.32 143.88 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -132.27 153.11 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.02 -143.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -113.09 -49.03 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -53.23 -16.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.39 143.41 49.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -41.25 -47.04 3.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.462 ' CG2' ' CG1' ' A' ' 55' ' ' VAL . 64.9 p -69.86 -51.83 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 171.71 21.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -47.5 132.8 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.91 134.96 2.98 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 92.1 mt -91.94 138.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -125.98 125.33 42.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -112.95 167.23 10.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 9.1 m-85 -159.09 140.31 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -90.03 124.51 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.74 -176.55 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -117.06 -22.49 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -114.07 42.51 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -39.35 -55.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.46 -49.0 7.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.403 HG23 ' CD1' ' A' ' 40' ' ' LEU . 15.9 mt -66.93 -32.71 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -28.77 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -82.59 -27.76 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.7 tp -87.87 -41.92 12.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.0 mt -45.72 -62.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -54.23 -27.18 32.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.19 -34.15 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.6 -31.63 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.0 mtp . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.816 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.6 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.23 107.29 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 28' ' ' ASP . 16.2 mt -79.82 -178.08 6.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -125.66 -37.23 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -131.7 139.18 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.12 112.97 10.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -48.27 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 98.2 m -66.66 96.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.89 -60.61 8.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -60.48 113.5 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.8 p -136.24 145.13 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 5.4 p-10 -121.84 83.51 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -44.51 125.03 4.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.77 0.237 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.0 -0.94 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -129.02 27.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.11 140.19 87.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.79 -31.08 21.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -100.79 -20.38 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -119.28 145.53 46.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -147.65 108.27 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 146.42 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.9 m -125.96 105.29 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -52.62 118.25 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 35.0 m -116.73 171.96 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 12.2 p-10 -107.7 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -46.25 -36.09 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.72 -35.27 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 90' ' ' LYS . . . 110.47 7.91 25.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.431 ' CG2' HD21 ' A' ' 33' ' ' LEU . 11.6 m -71.15 170.05 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.182 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -105.08 111.42 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' A' ' 31' ' ' VAL . 3.7 mt -89.44 -61.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.98 163.19 25.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -104.08 152.99 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.06 170.45 37.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.7 128.13 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.4 ttm -104.41 137.45 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -124.74 132.86 53.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 mp -101.08 88.1 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' SER . 66.7 p -102.08 138.2 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -39.06 -26.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 m -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -167.42 -178.2 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -88.42 132.76 34.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.6 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.1 mt -112.75 161.99 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -133.26 126.65 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.479 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 8.1 t -96.87 147.21 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 139.55 45.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.479 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.2 m-90 -133.2 115.14 13.89 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.72 10.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -43.14 -35.17 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.77 -55.56 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -63.57 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.13 89.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -91.52 -56.41 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HD3' ' CD2' ' B' ' 7' ' ' PHE . 33.0 ttm180 -97.37 125.78 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 42.7 p90 -151.87 120.0 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.18 -153.99 8.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.629 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 3.7 p90 -167.21 166.74 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -166.39 169.38 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -45.45 110.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' SER . 1.9 p-10 46.17 37.15 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -144.21 134.91 24.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -144.59 121.86 11.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.0 t -133.58 155.44 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -147.48 144.85 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -108.18 148.31 30.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.7 p -143.84 151.76 40.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.09 -157.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -104.88 -8.68 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -75.88 -23.74 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -60.59 146.54 44.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -40.22 -60.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -54.28 -47.76 72.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 104.42 171.18 24.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.77 134.92 3.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.36 144.83 4.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.4 mt -96.71 149.03 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -136.04 123.8 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.573 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.15 155.5 20.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.7 m-85 -145.32 151.8 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 30' ' ' GLY . 30.7 mttp -98.08 123.1 41.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.3 t -164.02 110.0 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 t -52.29 -19.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -97.29 32.46 2.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -64.06 -66.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.6 tt0 -33.72 -58.85 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.33 -52.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.1 mt -65.73 -35.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -71.74 -25.69 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -89.16 -27.06 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 tp -87.2 -26.55 23.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -55.46 -18.65 7.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -38.31 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.8 mt -79.04 -40.71 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.84 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.4 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm85 -90.12 122.42 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.3 mt -96.17 172.46 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -115.34 -29.16 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -137.25 164.07 29.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.7 t80 -91.15 118.44 68.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 74.3 m -52.75 117.16 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.22 -60.9 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -80.13 95.42 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.461 HG21 ' N ' ' B' ' 13' ' ' ASN . 3.0 p -108.77 141.82 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.476 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 2.6 t30 -116.64 83.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.93 142.48 9.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.786 0.244 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -95.01 7.81 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -129.47 14.88 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.5 t-80 -53.37 139.45 47.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.81 -27.52 26.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -111.39 -13.52 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -122.24 147.97 45.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -150.76 107.58 3.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -65.38 122.72 17.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -116.01 163.09 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.3 m -128.64 114.05 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -56.54 125.93 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.414 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 26.8 m -136.22 160.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.557 ' HB2' ' CZ ' ' B' ' 2' ' ' PHE . 0.6 OUTLIER -102.27 -176.85 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -48.5 -45.19 36.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -61.71 -27.2 68.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 3.45 54.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 26' ' ' VAL . 34.3 m -62.82 169.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.6 107.27 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -85.43 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.4 149.43 21.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.9 p -84.36 152.18 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.29 161.96 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -120.5 122.14 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.4 tpp -92.25 132.07 36.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -117.58 132.6 56.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -105.74 108.99 20.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' SER . 80.5 p -127.4 138.12 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -38.67 -26.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.1 m -73.83 -70.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.03 178.69 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.13 138.78 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.1 129.18 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.19 140.94 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.06 106.59 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.5 HG12 ' CZ2' ' A' ' 57' ' ' TRP . 3.5 t -96.89 151.79 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -132.57 139.54 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.5 ' CZ2' HG12 ' A' ' 55' ' ' VAL . 22.9 m-90 -129.84 113.31 17.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.93 43.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -64.14 -13.77 50.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mt -71.64 -66.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 62' ' ' LEU . 4.3 p -55.31 -42.12 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 12.1 mt -35.68 98.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -57.33 -43.28 83.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -165.03 170.53 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.516 ' CE1' ' SD ' ' A' ' 105' ' ' MET . 18.8 p90 -147.99 108.75 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.77 -164.33 21.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.433 ' N ' ' SG ' ' B' ' 9' ' ' CYS . 3.1 p90 -167.45 143.83 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 110.948 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' B' ' 9' ' ' CYS . 6.2 m-20 -141.03 168.43 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.3 t -46.91 129.08 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' SER . 30.2 t30 33.18 35.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 69' ' ' SER . 2.4 tm? -150.02 141.0 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -145.74 129.76 17.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 t -147.48 165.87 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.95 149.2 27.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -151.67 151.71 31.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.2 -160.72 29.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -101.82 13.78 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -95.74 -13.49 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.56 168.3 18.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.7 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 p -43.03 -59.07 2.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.12 167.53 12.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -41.35 150.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.73 157.36 9.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 87' ' ' PHE . 17.0 mt -98.8 151.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.404 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 37.1 m-85 -128.39 115.88 18.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' B' ' 4' ' ' LEU . . . -113.18 142.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -138.23 149.47 45.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -85.98 122.32 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.86 177.26 8.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -117.64 -22.29 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -109.45 48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 -68.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' PHE . 5.3 tt0 -42.71 -55.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.92 -50.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.9 mt -68.99 -32.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -74.85 -21.6 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -92.05 -35.42 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.62 -36.99 51.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.6 -50.95 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -65.51 -24.46 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.83 -29.36 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.6 mt -88.11 -45.37 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 65' ' ' TYR . 27.0 mtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 60.0 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 115.53 30.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 88' ' ' ALA . 12.7 mt -95.17 162.99 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -118.84 -13.25 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -131.96 168.74 17.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -116.31 110.0 43.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.11 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 20.4 m -40.05 153.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.21 -68.42 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.15 87.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.94 144.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.49 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 27.4 p-10 -135.81 143.99 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -88.67 173.57 8.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.537 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.756 0.231 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.49 -2.19 31.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' HB3' ' NH2' ' A' ' 93' ' ' ARG . 11.6 p30 -130.76 35.22 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.534 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.94 139.92 96.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.823 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.534 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.1 Cg_endo -69.78 -30.7 21.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.8 p -101.07 -25.16 14.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 2.0 mptp? -113.26 153.64 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.7 m-85 -149.96 107.39 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' HG21 ' A' ' 37' ' ' VAL . 17.8 mttm -69.88 117.07 10.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.38 174.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.3 m -141.25 105.45 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 121.07 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.28 178.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.566 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 0.5 OUTLIER -110.49 -177.27 3.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -53.0 -39.13 62.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -39.56 81.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.35 5.23 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.2 165.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.38 114.08 27.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.64 -59.52 1.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.05 145.11 15.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.4 p -90.61 147.53 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.86 167.41 37.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.407 HG21 ' CG ' ' A' ' 22' ' ' LYS . 26.9 t -121.61 123.61 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.9 ttm -93.51 123.61 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -109.31 131.79 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 40' ' ' LEU . 10.7 mp -100.55 89.77 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 43' ' ' SER . 22.5 p -108.36 135.99 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -38.5 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' THR . 67.7 m -68.51 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.435 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 10.1 pt-20 -174.46 179.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.4 mt -89.13 115.16 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 81.7 t -115.68 142.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.5 mt -105.0 155.86 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -132.01 114.16 14.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.35 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.15 141.18 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 -121.51 161.2 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -152.7 113.48 2.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 121.27 7.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 44' ' ' GLU . 47.7 m-85 -47.6 -26.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.37 -45.95 88.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 5.2 p -70.84 -37.05 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.5 mt -45.14 92.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 74.5 ttt180 -53.71 -55.84 22.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.7 166.43 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CE1' ' HE1' ' A' ' 105' ' ' MET . 1.3 p90 -149.0 133.76 17.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.04 -168.85 12.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -160.74 151.9 18.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.19 168.7 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 t -48.54 -54.75 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -132.98 35.98 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.454 HD11 ' CG ' ' B' ' 8' ' ' PRO . 0.8 OUTLIER -148.85 131.07 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -140.21 116.29 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -134.19 168.86 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.48 145.27 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -98.09 154.05 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 81.3 p -153.6 152.66 31.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.76 -152.03 1.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -24.73 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -55.06 -18.85 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 p -72.97 150.05 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.442 ' HG2' ' N ' ' A' ' 82' ' ' THR . 12.2 tt0 -42.72 -66.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.442 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 53.4 p -47.45 -57.09 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.55 172.24 15.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -48.04 134.29 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 145.7 144.99 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -95.27 150.99 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -140.14 124.78 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.87 156.69 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -148.5 130.98 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -82.51 119.27 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 9.3 t -133.65 156.74 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 t -86.81 -31.35 20.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 2.7 ptp180 -118.01 52.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.38 -57.57 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 22.0 tt0 -42.65 -53.99 4.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -41.36 -54.07 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.3 mt -60.54 -33.96 56.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -74.52 -19.84 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.474 ' ND2' ' N ' ' A' ' 99' ' ' ASN . 1.1 m120 -85.69 -30.39 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.401 ' CD2' ' HG ' ' A' ' 104' ' ' LEU . 2.5 tt -90.83 -34.44 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.76 -56.79 14.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -53.16 -33.05 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.58 -25.82 62.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.401 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 86.1 mt -87.73 -44.34 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.503 ' HE1' ' CE1' ' A' ' 65' ' ' TYR . 29.7 mmm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 38.4 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 134.45 40.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.2 mt -103.48 163.08 12.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -93.56 -43.99 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -134.05 175.37 9.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.09 119.48 69.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.454 ' CG ' HD11 ' A' ' 71' ' ' LEU . 54.3 Cg_endo -69.76 -50.58 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -56.01 141.28 40.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.73 -62.72 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -72.8 83.48 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 m -96.15 162.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.443 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 48.7 t-20 -122.35 90.61 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -51.48 116.28 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.791 0.246 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.16 17.98 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -127.87 8.53 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t-80 -48.95 133.31 14.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.6 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -84.36 -38.99 19.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' HIS . 1.7 mppt? -97.85 155.72 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 98.1 m-85 -153.58 105.65 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -61.07 122.39 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.09 -179.24 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.6 m -150.85 106.99 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -59.82 126.75 28.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.7 m -129.36 168.68 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.494 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.9 p-10 -97.51 -174.1 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -54.36 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.36 6.77 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.5 151.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.72 113.28 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 12.1 mt -88.45 -64.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.42 149.31 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.8 p -97.31 143.16 28.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.27 170.65 36.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.8 t -125.16 124.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.46 ' CG ' HD22 ' A' ' 45' ' ' LEU . 28.7 tpp -91.58 129.91 37.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -114.29 132.3 56.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -97.29 90.73 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 43' ' ' SER . 21.8 p -110.77 135.99 50.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -38.26 -27.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' THR . 17.6 p -70.1 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -174.55 -178.72 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD22 ' CG ' ' A' ' 38' ' ' MET . 12.9 mt -89.87 108.77 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.94 146.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -109.17 150.7 27.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -121.96 130.13 53.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.604 ' CG1' ' CH2' ' A' ' 57' ' ' TRP . 37.5 t -126.31 154.36 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -139.99 161.72 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.604 ' CH2' ' CG1' ' A' ' 55' ' ' VAL . 15.2 m-90 -154.66 117.73 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.5 Cg_endo -69.76 124.05 10.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -43.45 -22.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.1 tp -67.85 -58.17 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.2 p -50.5 -36.6 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.82 92.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -78.12 -42.13 32.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' B' ' 7' ' ' PHE . 52.0 ttp180 -129.54 137.64 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 16.9 p90 -145.3 112.52 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.97 -163.41 13.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -166.47 159.46 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -145.87 177.47 8.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -46.61 -63.35 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -129.9 42.18 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -150.35 128.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -131.47 110.34 10.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.3 t -126.22 157.33 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.0 145.18 25.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 76' ' ' SER . 14.2 tt0 -101.9 153.73 19.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.416 ' O ' ' OE1' ' A' ' 84' ' ' GLN . 2.7 p -150.88 127.07 10.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.76 179.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 9.1 ptt180 -81.44 36.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -108.93 -34.04 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 10.0 p -59.68 145.96 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -40.43 -56.57 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -55.78 -40.41 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.47 175.77 19.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.471 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 4.6 tp60 -65.53 118.26 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 175.17 152.21 9.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 92.7 mt -93.69 126.88 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.65 114.75 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.11 132.08 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -126.97 139.66 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -85.21 131.8 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.9 p -147.37 -176.62 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -120.3 -22.16 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' ALA . 21.3 mtm180 -111.56 27.23 9.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' ARG . . . -35.0 -43.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' PHE . 11.7 tt0 -60.97 -55.66 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -39.48 -57.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.5 mt -61.34 -32.93 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -70.76 -33.45 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -79.19 -29.78 43.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.8 tt -82.61 -40.72 20.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.4 mt -53.58 -54.87 31.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.48 -26.7 61.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.59 -39.41 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.8 mt -75.78 -33.99 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.494 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 26.1 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.894 0.378 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -96.24 124.01 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 mt -95.16 164.65 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -99.22 -39.56 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -129.47 164.79 22.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.417 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 2.7 t80 -86.36 121.92 72.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.416 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 53.5 Cg_endo -69.79 -50.66 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.83 151.0 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.32 -73.81 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.46 99.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.62 146.17 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 18.8 p-10 -114.32 78.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -38.3 129.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.438 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.791 0.246 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 13.5 m-20 -71.1 -1.13 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -134.46 40.42 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.548 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.6 t-80 -70.82 141.15 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.548 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.401 ' HG1' ' CE1' ' A' ' 17' ' ' HIS . 73.3 p -94.92 -27.9 15.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -115.45 147.18 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -147.49 108.71 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -68.81 127.0 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -125.13 174.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.3 m -137.55 107.53 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.06 119.22 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 34.9 m -123.05 179.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.564 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.7 p-10 -113.27 -175.18 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.9 -42.82 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.81 -40.51 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.1 12.2 7.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 26' ' ' VAL . 20.9 m -73.73 167.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -100.55 113.47 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -96.18 -63.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.57 149.43 19.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.9 p -96.83 142.42 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.37 169.96 35.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -120.34 121.02 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.7 tpp -85.33 130.04 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -114.57 131.09 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 mp -102.68 76.12 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' SER . 36.8 p -94.43 130.99 40.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' THR . 36.7 mt-30 -35.84 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 t -65.19 -61.43 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -172.53 -179.5 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.48 123.86 36.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t -123.84 142.48 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.27 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.31 103.27 15.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.501 HG13 ' CZ2' ' A' ' 57' ' ' TRP . 62.9 t -115.67 162.83 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.449 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 9.1 mtt85 -141.46 135.63 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.501 ' CZ2' HG13 ' A' ' 55' ' ' VAL . 18.3 m-90 -129.89 112.69 17.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.77 121.52 8.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -38.39 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -63.04 -60.06 3.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.4 p -58.9 -36.09 74.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 mt -48.13 97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.11 -54.93 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -153.04 172.03 17.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 3.6 p90 -149.15 131.6 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.41 -169.34 14.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -166.26 146.46 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -144.67 171.75 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.0 p -46.64 -55.91 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -133.55 42.62 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.425 HD12 ' CG ' ' B' ' 8' ' ' PRO . 0.5 OUTLIER -151.83 130.48 12.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.509 ' CZ ' HG22 ' A' ' 97' ' ' ILE . 31.9 t80 -140.6 108.98 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -129.49 167.79 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 9.4 p90 -151.67 142.73 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.28 148.5 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.3 m -146.01 153.24 40.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.38 -148.47 1.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.448 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -105.85 -37.13 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 10.7 ptm180 -45.1 -25.35 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 p -66.27 160.29 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -52.75 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p -51.11 -33.03 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.05 179.1 44.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.448 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 11.0 pt20 -44.26 141.69 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.55 149.86 5.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 87' ' ' PHE . 64.0 mt -105.01 136.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' N ' HG23 ' A' ' 86' ' ' ILE . 49.3 m-85 -121.61 123.91 43.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.74 165.03 11.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -155.78 120.78 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -67.83 118.66 11.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.9 166.67 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.4 m -108.77 -32.86 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.462 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -98.1 38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.18 -54.5 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -49.06 -55.31 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -41.87 -54.9 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 72' ' ' PHE . 14.5 mt -62.36 -31.46 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -34.94 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -72.59 -28.04 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.91 -43.78 12.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.51 -52.99 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -59.92 -37.89 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.77 -25.3 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.9 mt -92.58 -30.49 15.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.404 ' HE1' ' CE1' ' A' ' 65' ' ' TYR . 9.4 mmm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 34.1 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.02 134.51 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 mt -105.21 166.59 10.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -97.15 -42.9 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -132.87 -179.9 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.22 120.86 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.425 ' CG ' HD12 ' A' ' 71' ' ' LEU . 54.1 Cg_endo -69.71 -49.56 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 65.2 m -60.85 145.68 49.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.19 -63.38 0.84 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -74.66 89.61 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -98.27 151.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 62.9 t-20 -108.21 92.26 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -55.4 133.54 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.803 0.251 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.64 4.59 9.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.37 18.18 9.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -58.94 134.1 87.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.553 0.692 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.22 36.53 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.9 p -113.34 -17.8 12.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -120.91 130.99 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -132.88 108.27 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.25 106.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.72 177.84 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -147.07 108.44 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -54.87 130.57 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.5 m -130.72 174.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.547 ' HB2' ' CZ ' ' B' ' 2' ' ' PHE . 2.8 p-10 -109.82 -175.55 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.21 -51.87 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.78 -35.36 74.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.88 0.14 24.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.6 m -57.9 164.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -97.73 105.14 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 mt -86.42 -56.65 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.28 143.38 10.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 154.83 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.72 171.1 36.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.2 t -119.51 126.38 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 40.2 ttm -109.89 125.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -114.54 136.29 53.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 97' ' ' ILE . 7.1 mp -101.6 97.66 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 42' ' ' GLN . 41.2 p -118.37 131.71 56.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 41' ' ' THR . 94.6 mt-30 -32.45 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 8.7 t -61.34 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.95 -177.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -88.97 121.89 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.41 HG13 ' CD2' ' A' ' 48' ' ' HIS . 55.5 t -104.62 121.98 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.77 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.41 ' CD2' HG13 ' A' ' 46' ' ' VAL . 54.0 m-70 -109.56 138.77 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.443 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 61.8 t -98.69 124.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.7 151.95 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 2.3 m-90 -138.76 124.09 12.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.582 0.706 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 54.4 Cg_endo -69.77 140.88 43.71 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 62' ' ' LEU . 11.4 m-85 -74.19 -30.4 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -73.58 -77.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 62' ' ' LEU . 1.3 m -34.76 -37.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 61' ' ' CYS . 6.0 mt -33.73 132.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -90.56 -63.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 14.0 ttp-105 -136.23 149.95 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.574 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 54.6 p90 -151.91 108.31 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.05 -168.1 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.403 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.3 p90 -156.2 162.62 40.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.8 m-20 -154.3 169.23 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' ASP . 15.3 t -35.04 -71.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -123.36 29.0 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -137.85 132.16 32.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -142.56 107.07 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.2 t -116.29 166.22 12.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.9 p90 -160.02 140.6 11.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -101.6 156.48 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.4 p -140.67 149.13 41.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' GLY . . . -62.76 -151.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -111.99 -32.3 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -64.89 -14.34 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -66.43 -175.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.07 -61.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 p -72.2 -34.32 68.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . 94.36 -162.01 24.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.9 155.12 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.03 140.67 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 98.3 mt -99.01 136.62 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -123.82 122.6 38.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.75 129.79 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -120.45 138.92 53.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -97.57 116.18 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.1 148.39 48.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 t -80.54 -28.56 37.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -112.53 47.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -56.86 -57.21 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 98' ' ' PHE . 19.0 tt0 -37.81 -60.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -39.78 -53.71 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 40' ' ' LEU . 12.3 mt -62.48 -31.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -78.67 -25.13 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -89.14 -18.29 27.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.3 tp -95.34 -30.56 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.5 mt -54.01 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -53.66 -29.75 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.9 -36.03 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.22 -36.93 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.412 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 65.1 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 15.8 t80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -83.81 126.9 33.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 mt -93.8 172.85 7.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.64 -39.75 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -140.17 154.99 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.38 125.28 91.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.2 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 t -66.5 153.89 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.1 -42.16 1.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -92.35 100.28 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 64' ' ' ARG . 6.6 p -116.24 138.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' B' ' 14' ' ' TYR . 8.4 t30 -104.64 70.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' B' ' 13' ' ' ASN . 54.0 m-85 -35.45 138.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.817 0.257 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.65 10.24 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.05 20.25 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.497 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -62.83 140.69 97.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.589 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.74 -43.04 2.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.6 p -87.2 -23.93 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -115.8 135.38 54.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 85.7 m-85 -136.22 109.62 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -67.88 119.53 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -119.8 164.82 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 m -131.65 109.9 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.16 108.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 31' ' ' VAL . 27.6 m -115.1 -178.91 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.544 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.4 p-10 -113.3 -174.91 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.87 -39.41 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.51 -39.59 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.81 15.64 7.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 13.1 m -75.92 164.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -96.43 110.13 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.77 -58.16 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.37 138.98 7.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.9 p -84.74 138.85 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.64 165.65 30.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.08 122.13 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.4 tpp -89.08 133.69 34.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -124.27 131.09 53.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.45 88.53 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 42' ' ' GLN . 13.9 p -107.07 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' THR . 38.8 mt-30 -32.98 -40.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -58.65 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -174.96 -179.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -87.62 120.25 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.01 138.96 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD13 ' CZ3' ' A' ' 57' ' ' TRP . 13.5 mt -110.77 128.53 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -106.06 125.18 50.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.789 0.328 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.509 ' CG1' ' CZ2' ' A' ' 57' ' ' TRP . 48.7 t -116.48 160.38 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.52 157.83 45.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.509 ' CZ2' ' CG1' ' A' ' 55' ' ' VAL . 29.6 m-90 -148.95 111.83 3.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 127.97 15.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -43.13 -31.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -59.52 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.67 -40.59 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.27 105.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -70.88 -52.58 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -136.89 120.52 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.45 161.31 15.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.441 ' HB3' ' CB ' ' A' ' 98' ' ' PHE . 5.3 p90 -124.98 168.63 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.57 -176.07 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LEU . 48.2 t -70.8 123.47 22.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 39.19 25.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -136.68 127.81 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.492 ' CZ ' HG21 ' A' ' 97' ' ' ILE . 39.5 t80 -136.83 116.6 13.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.5 t -140.68 158.19 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -145.39 146.75 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -107.36 135.69 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 m -138.03 137.99 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.68 160.74 51.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.462 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -47.91 -26.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -21.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.7 p -74.06 165.72 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.31 -69.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.8 p -46.3 -40.78 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 111.05 176.84 20.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.462 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 8.5 tt0 -51.83 137.95 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.31 143.2 4.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 70.3 mt -94.64 141.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -126.07 124.61 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -105.85 158.59 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 11.4 m-85 -153.36 136.92 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -84.23 119.24 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.74 172.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.5 t -97.11 -40.44 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -109.41 58.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.25 -57.25 13.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' PHE . 15.4 tt0 -49.08 -55.69 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.38 -47.7 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.492 HG21 ' CZ ' ' A' ' 72' ' ' PHE . 20.0 mt -63.34 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.1 -19.75 59.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -90.3 -22.98 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 tt -91.4 -36.57 13.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.28 -54.07 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.1 -33.78 65.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -24.86 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.5 mt -94.16 -26.22 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 12.6 mmm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.856 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 41.6 t80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.566 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -89.78 147.22 23.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.426 HD12 ' CB ' ' A' ' 88' ' ' ALA . 12.5 mt -117.83 153.07 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -84.63 -49.6 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -125.52 160.45 29.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 5.7 t80 -85.04 118.38 70.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . 0.407 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 54.2 Cg_endo -69.73 -45.82 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.502 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 33.3 m -65.53 95.76 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -61.51 5.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.35 101.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.463 HG22 ' N ' ' B' ' 13' ' ' ASN . 7.2 p -121.18 141.29 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.463 ' N ' HG22 ' B' ' 12' ' ' VAL . 5.5 t30 -101.59 82.88 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -44.92 127.71 6.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.827 0.261 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 9.1 p30 -74.74 0.24 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -130.58 32.11 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.538 ' CD2' ' HD2' ' A' ' 14' ' ' PRO . 1.5 t-80 -64.6 139.01 97.63 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.05 27.94 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 p -104.12 -29.35 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -114.89 152.11 32.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 27.9 m-85 -145.61 106.11 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -65.01 113.42 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -114.44 167.63 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -134.78 99.1 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -52.3 126.6 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.11 -178.24 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.3 p-10 -112.44 -174.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.17 -48.16 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.78 -40.03 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.73 17.25 6.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 m -76.83 161.82 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -97.34 113.79 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.91 -61.43 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.11 142.86 13.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -90.93 138.63 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.96 166.93 29.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -119.88 121.27 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.402 ' CG ' HD23 ' A' ' 45' ' ' LEU . 40.3 ttm -95.58 125.7 40.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -109.52 130.95 55.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 97' ' ' ILE . 8.2 mp -99.35 81.1 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' GLN . 76.9 p -99.4 136.5 39.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 32.0 mt-30 -35.32 -39.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -58.36 -65.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -174.48 -177.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD23 ' CG ' ' A' ' 38' ' ' MET . 16.0 mt -87.5 129.71 34.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 47' ' ' LEU . 85.3 t -133.49 136.46 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.44 ' N ' HG11 ' A' ' 46' ' ' VAL . 38.2 mt -100.84 163.96 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -132.0 110.8 11.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 49' ' ' LEU . 4.5 mm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.526 HG13 ' CH2' ' A' ' 57' ' ' TRP . 43.7 t -92.38 130.55 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -125.2 166.53 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.526 ' CH2' HG13 ' A' ' 55' ' ' VAL . 10.2 m-90 -152.78 112.8 2.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.73 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -40.51 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 tt -64.97 -68.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ARG . 99.9 m -48.94 -42.12 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' CYS . 10.7 mt -33.77 95.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.6 tpp180 -57.87 -57.58 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.443 ' HB2' ' CG2' ' B' ' 12' ' ' VAL . 8.4 ptp180 -146.18 145.93 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -125.48 116.19 21.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.57 -178.83 20.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.27 163.32 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.921 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -159.74 160.68 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.0 m -41.5 -59.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -131.44 36.5 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.79 125.23 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -134.76 115.03 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -127.02 165.94 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -149.96 155.73 40.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 8.1 mp0 -97.13 155.08 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.6 p -146.33 133.49 20.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.11 -139.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -123.07 -33.79 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -64.93 -13.66 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.2 p -68.75 -176.41 0.82 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -77.38 -55.25 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.481 HG21 ' CZ2' ' A' ' 57' ' ' TRP . 4.0 p -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.8 173.19 37.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -44.36 144.5 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.28 131.76 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.0 mt -90.77 126.72 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -111.69 126.51 55.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -105.64 158.12 16.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -144.97 150.72 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -104.86 138.37 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.5 p -163.08 -175.02 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.9 m -122.08 -23.34 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -107.36 32.65 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.88 -59.21 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -45.34 -46.75 13.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 40' ' ' LEU . 18.9 mt -69.58 -34.81 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -29.11 63.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -77.52 -31.94 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 45.4 tp -86.85 -35.13 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.6 mt -47.56 -62.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -58.16 -29.53 65.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.26 -26.22 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.4 mt -91.73 -39.2 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 21.6 mtp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 13.3 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . 0.568 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -67.87 149.28 50.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 15.9 mt -117.81 165.67 13.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -99.7 -44.84 5.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -136.61 155.43 49.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' B' ' 9' ' ' CYS . 0.8 OUTLIER -68.97 113.49 16.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.881 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 3.03 3.03 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' CYS . . . . . 0.503 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 19.5 t -100.64 -74.68 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.9 -42.5 1.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -95.87 90.64 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 64' ' ' ARG . 5.4 p -114.35 138.45 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' B' ' 14' ' ' TYR . 10.4 p-10 -97.72 81.38 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 10.0 m-85 -34.72 134.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -167.57 164.32 14.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -162.92 175.13 11.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.03 103.12 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -119.31 136.2 54.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -135.71 152.75 51.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.44 43.01 2.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.6 mt -106.83 127.14 53.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -70.09 150.69 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.43 139.04 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -95.25 -54.4 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 p -144.72 123.71 12.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.57 123.01 60.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 166.13 28.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.74 2.293 . . . . 0.0 112.307 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.7 3.24 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -132.0 30.94 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -65.35 141.08 97.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.74 -35.06 13.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 p -99.34 -23.0 15.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -115.55 155.7 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 58.4 m-85 -155.19 105.55 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.08 113.55 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.4 164.15 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.4 m -132.02 100.07 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -53.21 118.66 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.7 m -115.93 175.8 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -108.19 178.51 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -44.54 -42.64 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.81 -3.44 27.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -58.53 165.82 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.89 114.59 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 13.7 mt -94.46 -53.99 3.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.99 153.46 25.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 p -94.29 147.36 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.2 34.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.47 123.21 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.432 ' CE ' HD22 ' A' ' 47' ' ' LEU . 44.2 tpp -94.03 139.32 31.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -120.08 132.74 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 40' ' ' LEU . 8.9 mp -109.48 84.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.1 OUTLIER -114.01 140.04 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 11.8 mp0 -35.14 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 12.0 t -58.97 -71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -174.53 179.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.4 mt -88.66 124.49 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -126.35 131.77 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.555 HD13 ' CZ3' ' A' ' 57' ' ' TRP . 17.5 mt -100.93 141.34 33.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -115.6 140.68 48.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.74 -175.95 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 52' ' ' ARG . 10.0 t60 -48.18 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' HIS . 13.5 mmm180 -34.37 -33.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' HIS . 25.4 mmt180 -39.65 158.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -64.8 146.0 55.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.31 -179.24 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.443 HG13 ' CG2' ' A' ' 82' ' ' THR . 14.2 t -141.61 157.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -137.47 151.08 48.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.555 ' CZ3' HD13 ' A' ' 47' ' ' LEU . 27.5 m-90 -139.95 114.79 7.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.69 21.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -52.88 -21.84 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HA ' ' CD2' ' B' ' 16' ' ' TYR . 4.3 mm? -63.62 -75.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 3.0 m -36.17 -51.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' CYS . 54.3 mt -34.74 96.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.534 ' NH1' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.76 -45.13 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -134.96 138.35 43.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.488 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 23.4 p90 -140.2 108.34 5.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.98 -162.81 12.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -160.59 169.29 23.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.935 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' SER . 5.0 m-20 -174.14 165.6 4.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 70' ' ' ASN . 5.2 m -38.11 119.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.8 p-10 32.84 42.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -146.54 126.53 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.485 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 48.3 t80 -143.83 130.79 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -148.86 168.46 22.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -151.46 146.16 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.07 131.77 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -128.01 153.22 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.534 ' N ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.47 -148.1 0.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.04 -2.32 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -84.26 -12.85 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' GLN . 10.5 p -76.94 151.53 35.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' CYS . 9.8 tt0 -37.54 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.443 ' CG2' HG13 ' A' ' 55' ' ' VAL . 27.3 p -47.42 -59.83 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.72 -173.57 16.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.7 129.97 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 87' ' ' PHE . . . 144.65 148.76 4.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.519 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.5 mt -93.64 152.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' A' ' 85' ' ' GLY . 1.0 OUTLIER -137.0 118.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.622 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.75 155.84 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -146.58 149.55 33.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -98.66 126.12 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.48 179.43 6.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 t -104.85 -24.6 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -122.98 49.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.98 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.53 -48.51 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.05 -48.17 44.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.5 mt -66.98 -31.94 55.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -37.75 67.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.0 -20.43 59.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.4 tp -92.79 -35.42 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.485 HD11 ' CZ ' ' A' ' 72' ' ' PHE . 12.4 mt -52.75 -53.65 45.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.6 -12.52 33.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.7 -36.9 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.3 mt -85.69 -30.17 23.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.0 mtp -67.92 -47.86 67.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -39.67 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.2 t -59.17 -22.48 61.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 109' ' ' SER . 5.6 m120 37.45 50.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 108' ' ' ASN . 67.0 m -36.52 112.38 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mp -92.93 101.18 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 113' ' ' MET . 26.3 m-20 39.43 31.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 111' ' ' ASN . 1.4 p -35.78 -30.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -122.33 149.83 43.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.22 96.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -80.99 152.73 71.92 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.717 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -174.78 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.86 132.13 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 119' ' ' ILE . 26.7 mm -127.85 145.34 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.443 ' N ' HG23 ' A' ' 118' ' ' ILE . 12.1 pt -39.93 -37.12 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 119' ' ' ILE . 1.3 t -35.96 -35.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.9 ptt85 -43.07 151.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -60.09 121.01 10.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' HIS . 55.7 p -161.87 175.2 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' SER . 20.0 p-80 -38.46 143.54 0.43 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 147.39 62.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -153.88 176.63 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.88 82.28 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tt -104.12 138.34 40.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -43.29 159.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.0 pp -116.18 148.7 42.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.286 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -76.39 176.19 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -148.84 143.66 17.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 166.62 27.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.424 ' CD ' ' HD2' ' A' ' 136' ' ' PRO . 35.4 tp60 -93.89 136.89 23.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.424 ' HD2' ' CD ' ' A' ' 135' ' ' GLN . 54.2 Cg_endo -69.74 132.01 22.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -174.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -105.76 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.19 160.63 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.1 tp -116.4 125.49 52.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.27 -155.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.456 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -153.39 156.57 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.906 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 9.4 t -82.02 157.76 24.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.1 p -102.61 138.7 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -79.3 178.98 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.829 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.455 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 44.1 t80 -55.99 139.6 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -91.37 122.65 34.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.8 mt -95.96 158.37 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -84.35 -39.7 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -148.94 170.11 19.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.3 t80 -74.32 117.94 65.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.53 18.84 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.537 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.2 t -102.06 160.32 14.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.75 -31.89 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -98.81 96.07 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 65' ' ' TYR . 6.7 p -123.4 141.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.488 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 8.9 p-10 -105.01 77.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' B' ' 13' ' ' ASN . 18.2 m-85 -36.23 133.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.62 -69.59 0.52 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.482 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.483 ' CD2' ' HA ' ' A' ' 60' ' ' LEU . 24.4 m-85 -84.06 121.82 27.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.944 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -98.55 5.39 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -94.47 147.17 23.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 p -144.82 177.76 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 p -142.57 165.75 26.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.56 -178.53 22.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -150.68 158.87 44.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -146.36 170.27 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.06 156.23 27.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 pp -116.57 151.6 35.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -129.21 143.21 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -75.06 173.43 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.49 -42.97 58.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.2 t -60.62 143.44 53.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -99.97 120.47 56.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 161.27 46.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.81 -0.55 43.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -124.31 29.05 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.97 140.67 97.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.77 -34.82 13.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -98.3 -20.17 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 141.88 48.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -140.84 105.46 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -68.43 114.72 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.9 m -112.96 165.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.0 m -133.06 99.16 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -49.72 137.2 16.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.413 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 34.7 m -132.12 -179.67 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 0.5 OUTLIER -109.94 -177.5 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.51 -38.08 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.76 -41.97 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.3 4.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' VAL . 35.7 m -79.01 169.85 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -103.36 115.1 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.2 mt -100.32 -66.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.6 135.41 7.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -86.79 153.1 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.78 170.18 36.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.0 t -121.69 122.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.7 tpp -94.32 129.73 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -113.14 130.95 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 97' ' ' ILE . 8.5 mp -98.75 87.79 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 43' ' ' SER . 37.8 p -108.29 133.66 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . 86.3 mt-30 -34.53 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' THR . 19.5 m -62.0 -65.1 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -174.49 -179.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.9 116.43 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.4 t -116.79 138.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 mt -101.47 157.87 16.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -127.01 124.48 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.3 mt -123.25 -175.49 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -97.93 -75.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -91.45 -39.31 12.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -65.57 156.59 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.8 166.69 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.28 147.31 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.4 t -118.75 159.65 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -141.39 153.18 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 14.3 m-90 -141.04 113.49 6.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.545 0.688 . . . . 0.0 110.962 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 122.94 9.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -45.0 -27.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.81 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.423 ' SG ' ' CG ' ' A' ' 79' ' ' ARG . 60.6 m -49.6 -43.26 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.2 mt -41.58 97.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' CYS . 13.5 ptm180 -71.27 -38.28 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.31 156.78 42.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 7.5 p90 -151.59 124.25 8.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.97 -164.02 12.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -167.64 158.54 11.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -147.17 168.24 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -52.31 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' ND2' ' HZ3' ' A' ' 90' ' ' LYS . 5.3 p-10 -134.48 34.65 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.17 127.73 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -137.7 119.6 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.7 t -137.35 166.25 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -147.69 142.43 26.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -97.24 155.74 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -153.27 153.77 33.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -78.93 -133.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' CYS . 32.2 mtp180 -110.64 -48.94 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' CG ' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -36.11 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' ARG . 11.1 p -63.48 149.02 47.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 82' ' ' THR . 18.4 tt0 -43.65 -69.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 65.7 p -52.72 -37.34 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 85.71 -179.03 50.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLY . 3.8 pt20 -35.98 147.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.34 143.49 6.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.3 mt -101.71 144.64 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -130.06 119.73 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.441 ' HB2' ' CD1' ' B' ' 4' ' ' LEU . . . -101.93 165.97 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -156.03 136.37 13.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' HZ3' ' ND2' ' A' ' 70' ' ' ASN . 28.2 mttm -88.31 116.73 26.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.0 p -132.49 -179.22 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 t -114.89 -19.56 10.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -119.61 43.56 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.52 -60.76 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 98' ' ' PHE . 9.3 tt0 -43.92 -57.24 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -38.36 -56.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 40' ' ' LEU . 10.5 mt -61.35 -33.07 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -71.76 -32.73 68.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -83.23 -19.56 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 tt -93.77 -33.29 13.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 mt -58.13 -63.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -50.86 -22.57 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.61 -30.24 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.78 -37.67 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 71.6 mtp -58.71 -45.54 89.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 107' ' ' CYS . 9.6 pt20 -59.29 -42.17 90.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 2.6 t -72.18 -38.11 69.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -46.52 135.34 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.0 m -38.68 132.53 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 45.5 mm -113.79 -70.13 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -119.7 37.15 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 54.3 t -101.14 -42.62 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 17.2 mmt -113.67 159.45 19.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -97.49 123.64 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -79.78 135.15 56.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.61 2.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.4 p -120.15 140.86 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.41 HD13 ' N ' ' A' ' 118' ' ' ILE . 5.1 mp -133.13 130.93 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.9 mm -112.18 123.32 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.8 t -115.03 150.2 36.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -53.1 125.0 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -98.57 165.85 11.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -150.43 156.55 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -74.07 139.27 76.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -178.11 2.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.83 149.76 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -105.93 146.55 29.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.411 ' C ' HD22 ' A' ' 128' ' ' LEU . 9.3 tt -101.43 150.69 22.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -129.97 166.55 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.4 pp -116.79 157.1 47.05 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -175.95 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.39 174.96 5.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -137.47 150.26 67.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.72 6.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -118.74 144.75 36.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 153.78 68.51 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.03 4.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -117.86 179.48 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -138.74 172.76 12.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tt -137.95 133.56 33.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -90.54 -145.54 14.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -122.85 176.5 5.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.9 p -96.36 -15.13 22.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.6 t 65.36 46.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.0 m -57.56 137.54 56.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.844 0.355 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.1 t80 -59.61 139.03 57.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.74 110.12 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 88' ' ' ALA . 13.6 mt -82.5 169.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.563 ' HB3' ' CD2' ' B' ' 6' ' ' HIS . 44.2 mtm-85 -101.91 -41.67 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' B' ' 5' ' ' ARG . 6.9 m-70 -135.68 -179.16 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -93.46 120.36 66.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -47.23 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -56.86 140.28 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.72 -47.0 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.46 87.5 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -106.89 146.22 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 19.3 p-10 -116.1 94.0 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -48.71 140.0 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.91 -67.36 0.55 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -90.44 123.73 34.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -144.05 136.57 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.33 135.47 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -42.93 150.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.933 0.397 . . . . 0.0 110.808 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -147.34 110.21 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.69 100.27 0.72 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 m -111.07 159.32 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 p -90.87 134.99 34.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.8 166.22 12.4 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.59 139.09 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -106.66 -1.3 22.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.53 166.31 23.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.14 31.85 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -156.63 142.06 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.452 HG12 ' CE ' ' A' ' 22' ' ' LYS . 8.8 p -73.6 117.82 63.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.18 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 149.3 66.49 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 5.59 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -133.27 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.34 140.73 88.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.643 0.735 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 54.4 Cg_endo -69.72 -26.87 27.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.9 p -105.06 -24.67 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 120.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.24 105.51 9.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' CE ' HG12 ' A' ' 13' ' ' VAL . 13.2 mttp -70.38 111.85 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.34 173.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 m -142.95 105.08 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -54.96 120.66 7.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.5 m -118.64 163.22 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.516 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 6.5 p-10 -95.87 -178.57 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -41.05 59.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.97 -35.93 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.86 3.26 25.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -69.17 164.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.44 106.99 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.63 -60.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.69 146.98 18.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.3 p -90.52 148.17 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.77 169.49 36.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.7 t -127.17 121.63 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.9 tpp -93.44 128.36 39.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -110.08 133.19 53.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' CD1' HG22 ' A' ' 97' ' ' ILE . 6.7 mp -102.62 99.39 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' SER . 71.4 p -113.96 137.73 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -39.83 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 7.3 m -73.76 -71.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -161.36 -176.23 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -92.08 134.02 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.3 t -133.45 145.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.0 mt -109.38 162.83 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' C ' HD22 ' A' ' 49' ' ' LEU . 96.4 m-70 -133.17 108.72 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 HD22 ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -150.13 158.78 44.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 51' ' ' ARG . 16.5 p80 -93.71 -42.39 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' HIS . 2.2 mmp_? -35.12 -64.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -120.93 177.83 4.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.69 163.57 13.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 135.04 56.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.559 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 5.7 t -115.4 146.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -133.92 175.06 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.559 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 24.3 m-90 -155.44 121.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.77 121.87 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.248 . . . . 0.0 112.377 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -41.98 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD12 ' CD2' ' B' ' 16' ' ' TYR . 3.9 mm? -68.28 -68.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.9 m -43.69 -34.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.7 mt -52.29 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -125.71 146.84 49.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 43.6 p90 -144.44 110.95 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.91 -159.5 12.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.406 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 2.7 p90 -164.24 165.97 21.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -174.19 161.22 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.9 t -41.03 128.31 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.0 p-10 32.12 36.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.6 tm? -146.3 127.57 14.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -146.23 116.59 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -131.34 168.88 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -160.19 139.75 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -97.58 161.67 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 p -154.47 154.15 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.69 -139.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -123.36 -22.48 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -66.73 -13.95 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.0 p -60.02 175.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.36 -44.92 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.444 HG23 ' CZ2' ' A' ' 57' ' ' TRP . 37.6 p -67.29 -32.75 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 93.6 154.22 30.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' GLY . 3.5 pt20 -35.11 132.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.05 147.17 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.5 mt -95.36 141.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -130.56 116.24 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.8 150.03 25.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.433 ' CD2' ' HA ' ' A' ' 25' ' ' ASN . 4.0 m-85 -142.71 143.69 32.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -85.16 130.17 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.2 t -169.23 111.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -59.66 -21.74 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 36.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.46 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.01 -58.5 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -42.43 -43.96 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.444 HG22 ' CD1' ' A' ' 40' ' ' LEU . 10.0 mt -72.7 -35.73 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -73.43 -23.64 60.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -89.71 -24.82 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 100' ' ' LEU . 1.4 tt -91.05 -26.31 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.14 -55.95 23.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.5 -17.74 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.52 -34.69 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.7 mt -87.62 -42.07 12.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.473 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 37.3 mmm -53.39 -38.51 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 107' ' ' CYS . 4.8 pt20 -76.9 -29.73 55.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 1.8 t -56.44 -30.99 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 105' ' ' MET . 0.3 OUTLIER -42.99 138.44 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.3 p -44.92 135.18 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.18 78.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 44.34 37.94 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.1 m -108.36 -17.78 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.2 mtm -131.62 -176.24 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 114' ' ' GLU . 0.7 OUTLIER -130.74 107.16 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -137.71 140.14 28.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.47 53.81 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 117' ' ' VAL . 13.7 p -108.63 111.59 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.0 mm -71.44 153.15 8.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 3.5 pt -112.34 118.97 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.9 p -117.91 88.61 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 121' ' ' ARG . 1.6 tmm_? -97.44 94.98 7.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -127.43 71.57 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.6 p -162.56 178.74 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -103.9 137.73 19.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 146.77 61.36 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -169.17 152.65 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.116 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -141.4 171.84 13.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 45.8 tp -165.09 141.36 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.87 144.11 45.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.572 ' C ' ' CD2' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -103.83 151.51 38.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.887 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 120.97 7.68 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.637 2.224 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.39 165.94 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -143.43 144.34 27.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -171.8 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.309 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -143.88 148.75 43.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.565 0.698 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.84 9.52 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -169.85 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -157.66 172.59 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -174.59 178.37 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 tt -157.99 151.05 22.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -123.75 176.2 16.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -173.29 157.54 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.929 0.395 . . . . 0.0 110.911 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.8 155.62 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.4 -175.17 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.8 t -145.58 166.8 24.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.8 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.833 0.349 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 32.4 t80 -86.8 130.06 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.7 mt -85.58 -178.03 6.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -107.61 -27.89 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -155.95 -177.35 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 2.3 t80 -94.39 120.23 65.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.762 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -45.62 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.422 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 8.6 m -50.41 140.64 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.92 -39.45 2.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -103.9 82.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.99 161.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.545 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 1.8 t30 -131.26 96.49 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.56 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.39 -101.25 1.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.527 ' CD2' HD12 ' A' ' 60' ' ' LEU . 48.7 m-85 -38.75 111.77 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.937 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -144.89 168.74 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' B' ' 19' ' ' GLN . 37.1 mt-30 -114.73 146.69 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' B' ' 18' ' ' GLN . 13.4 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 m -123.88 162.01 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -129.41 14.29 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.75 174.93 13.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -110.6 115.61 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -137.53 125.87 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.17 56.2 0.75 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.1 mt -104.39 152.23 22.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.96 137.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -94.88 85.99 4.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -157.67 158.97 36.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m 39.7 40.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.66 115.24 1.4 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.661 0.744 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.74 33.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' N ' ' HZ1' ' A' ' 22' ' ' LYS . 9.3 t0 -94.09 -1.06 54.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -103.86 -11.77 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 2.6 t-80 -44.22 120.51 3.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.09 32.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.493 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 22.7 p -97.26 -28.03 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 9.1 mptt -109.87 152.49 25.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.4 m-85 -154.83 105.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' HZ1' ' N ' ' A' ' 15' ' ' ASP . 12.2 mtmt -61.95 122.64 15.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -121.04 165.47 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -135.74 110.29 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.31 130.75 48.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.8 170.72 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 0.6 OUTLIER -105.18 -174.98 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.35 -42.97 61.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.27 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.07 0.48 26.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -60.55 165.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -103.75 115.12 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 17.6 mt -92.26 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.54 155.49 23.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.0 p -98.32 144.23 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.74 164.43 31.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -117.97 121.69 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.9 ttm -93.19 134.94 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.19 132.05 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' CD1' HG21 ' A' ' 97' ' ' ILE . 8.4 mp -101.85 112.13 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -127.9 139.43 52.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -38.95 -32.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.9 m -66.49 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -170.69 -176.66 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -89.32 132.2 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.3 t -131.18 138.34 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -106.81 158.17 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -126.83 119.74 27.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt -121.75 -176.47 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -116.61 -69.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -67.14 -24.21 65.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -112.12 169.16 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.55 171.34 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.52 151.0 30.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.504 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 40.9 t -122.18 154.25 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -129.8 142.71 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.504 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 16.5 m-90 -135.42 114.08 11.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 132.08 22.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -49.86 -18.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' CYS . 5.7 mt -74.97 -73.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 63' ' ' ARG . 90.1 m -37.16 -38.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.8 mt -40.91 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' CYS . 11.0 mmm180 -59.92 -36.03 76.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -166.88 149.59 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.437 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 51.4 p90 -143.44 114.86 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.38 -161.55 12.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -162.08 161.34 28.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.0 m-20 -151.23 166.38 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ASP . 5.8 m -36.69 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -123.8 37.35 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -146.82 139.23 24.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -145.87 121.59 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 88' ' ' ALA . 30.0 t -136.32 160.24 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 5.1 p90 -147.99 149.19 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -105.98 166.21 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -148.82 153.53 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.18 -147.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.83 -27.97 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.89 -14.32 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.93 163.12 22.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -59.72 -65.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.1 p -49.83 -33.47 16.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.8 177.79 40.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -51.16 147.06 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.11 149.57 6.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 81.6 mt -98.88 148.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -133.43 124.04 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -107.58 159.99 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 3.5 m-85 -149.95 143.43 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -94.31 139.0 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.87 173.69 14.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.5 p -109.74 -12.53 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -120.34 28.38 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -40.03 -49.77 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 36.0 tt0 -53.43 -53.11 55.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -40.96 -50.12 3.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' A' ' 40' ' ' LEU . 9.8 mt -68.16 -33.36 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -76.89 -19.16 57.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.468 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 29.0 m-20 -88.86 -23.93 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.4 tp -94.68 -26.42 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.4 mt -58.02 -59.29 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 106' ' ' GLN . 17.3 pt20 -59.34 -22.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -30.53 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.7 mt -94.2 -31.47 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 88.7 mtp -72.89 -59.37 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 102' ' ' GLN . 3.2 pp0? -40.91 -38.06 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.2 t -45.28 -43.91 10.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' SER . 76.7 m-20 54.31 45.2 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' ASN . 23.6 m -38.07 127.59 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.94 -54.61 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.13 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -120.99 -39.65 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.2 p -43.88 -24.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.2 mmt -114.56 179.23 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.34 118.69 5.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.48 148.69 70.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.639 0.733 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -176.22 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.301 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 69.1 t -84.84 118.07 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 119' ' ' ILE . 4.8 mp -130.1 157.19 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.47 ' N ' HG23 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -83.52 140.46 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.0 t -126.95 167.12 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -102.11 79.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 46.58 45.08 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.9 m -144.98 114.63 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -134.94 144.06 48.79 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 162.21 43.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -87.08 82.17 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.06 105.48 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.414 ' C ' HD22 ' A' ' 128' ' ' LEU . 7.7 tt -165.23 141.12 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.02 158.9 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -118.79 123.02 29.34 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -169.88 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.286 . . . . 0.0 112.338 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.433 ' C ' ' CD ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -119.16 177.86 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -100.2 134.19 20.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.59 3.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.462 ' CG ' ' HD2' ' A' ' 136' ' ' PRO . 30.4 tt0 -146.34 140.95 15.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 135' ' ' GLN . 53.3 Cg_endo -69.76 116.32 4.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.346 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.03 1.69 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -126.08 175.65 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -157.71 175.4 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.0 tt -156.96 151.6 25.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -143.0 -175.38 16.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -156.72 151.14 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.0 0.428 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.8 p -129.72 165.95 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.3 p -131.89 147.13 32.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.6 m -118.81 173.83 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.855 0.36 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.475 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 18.7 t80 -50.75 121.9 6.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -74.14 127.36 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 mt -100.33 178.56 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.94 -35.13 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -123.15 175.08 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 1.8 t80 -109.96 111.68 58.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' B' ' 9' ' ' CYS . 53.9 Cg_endo -69.68 -40.96 4.82 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.487 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 79.9 m -36.85 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.55 -67.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -83.61 59.42 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 13' ' ' ASN . 7.4 p -70.66 143.91 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' B' ' 14' ' ' TYR . 6.0 t30 -107.71 77.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' B' ' 13' ' ' ASN . 25.1 m-85 -36.21 134.27 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.35 -172.46 13.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 42.09 38.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.937 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -142.16 140.4 32.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -98.17 147.47 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -117.59 -48.67 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -118.29 132.57 56.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.82 -142.72 9.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -105.45 124.05 48.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 p -118.6 -51.41 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.85 -153.25 23.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.27 123.95 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -118.25 106.67 13.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.45 117.38 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -105.11 118.49 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.2 p -76.49 110.72 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG11 ' CE ' ' A' ' 22' ' ' LYS . 12.1 p -140.59 120.26 8.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.87 68.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.62 -1.61 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -127.1 31.66 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -62.17 139.48 96.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.72 27.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 p -106.08 -22.78 12.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -117.12 138.53 51.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -135.58 105.53 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.473 ' CE ' HG11 ' A' ' 13' ' ' VAL . 17.3 mttt -68.39 105.13 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.68 168.79 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 m -133.42 105.95 7.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 128.65 38.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.491 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 27.2 m -128.92 173.95 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.552 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 0.8 OUTLIER -104.09 -174.6 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -41.98 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.63 -35.97 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.95 24.17 5.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 26' ' ' VAL . 13.5 m -83.73 164.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -98.09 109.33 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.7 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.2 155.56 26.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -87.45 158.29 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.38 165.06 35.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.2 t -121.44 120.88 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.9 ttm -98.76 137.26 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -117.96 130.61 56.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mp -106.54 91.13 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -127.41 141.25 51.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 68.4 mm-40 -35.15 -45.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -47.59 -71.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -174.25 175.11 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -87.57 134.23 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.02 142.31 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.567 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 15.4 mt -122.36 125.63 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -104.87 100.09 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' HIS . 0.6 OUTLIER -133.11 83.31 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ARG . 13.5 p-80 -36.81 -35.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' HIS . 10.9 mmm180 -34.18 -55.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -117.61 -74.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -174.83 174.2 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.15 152.76 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.566 HG12 ' CZ2' ' A' ' 57' ' ' TRP . 5.1 t -142.24 146.24 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -120.05 147.82 44.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.567 ' CZ3' HD12 ' A' ' 47' ' ' LEU . 25.9 m-90 -135.73 112.09 10.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.79 117.82 5.31 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -38.97 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' CD1' ' HG3' ' A' ' 113' ' ' MET . 4.8 mt -58.55 -50.73 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.7 p -63.82 -34.46 77.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.78 108.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 ttt85 -111.3 -54.08 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' B' ' 7' ' ' PHE . 4.0 ttp180 -105.82 105.63 15.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 35.0 p90 -135.57 115.39 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 -153.62 8.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -158.37 174.49 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -172.08 -175.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 104.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 6.5 t30 52.31 36.62 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -145.84 133.45 20.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -146.03 118.64 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -132.93 166.74 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -157.3 160.96 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -97.22 166.36 11.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 t -152.83 145.5 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -77.33 -151.75 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -28.46 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -63.38 -15.16 56.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.8 p -78.33 163.5 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -53.82 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.8 p -50.47 -53.42 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.0 175.21 26.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.7 mt-30 -41.23 149.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.41 141.31 4.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.432 HG21 ' N ' ' A' ' 87' ' ' PHE . 77.2 mt -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.567 ' CD1' HD13 ' B' ' 1' ' ' LEU . 34.0 m-85 -122.01 126.18 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -106.65 158.8 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -150.23 140.65 22.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -93.3 127.97 39.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 p -162.02 128.39 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -64.35 -11.15 29.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -111.32 31.08 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.4 -51.5 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.88 -54.26 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.37 -53.13 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.6 mt -63.97 -35.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -23.55 59.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -86.77 -22.87 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.5 tp -93.98 -30.92 14.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.65 -60.43 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -54.66 -29.63 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -39.18 90.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.79 -26.45 44.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 10.5 mmm -75.37 -48.48 22.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.54 -32.4 69.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.2 t -44.44 -41.12 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -174.19 114.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.3 t -121.28 35.1 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 111' ' ' ASN . 5.4 mp -102.79 75.71 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER 34.35 54.08 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.3 m -87.03 23.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.43 ' HG3' ' CD1' ' A' ' 60' ' ' LEU . 5.9 mmt -112.73 46.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -104.12 49.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -139.56 150.47 63.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 164.8 33.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.84 109.32 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 120' ' ' THR . 5.0 mp -111.02 133.77 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.5 pt -61.09 76.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 118' ' ' ILE . 10.8 m -81.76 144.59 30.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' SER . 0.3 OUTLIER -129.47 16.34 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.55 87.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' ARG . 6.8 t -106.94 82.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -73.75 113.24 21.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 162.65 41.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -157.66 125.48 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.417 ' O ' ' CD ' ' A' ' 127' ' ' GLU . 1.7 pp20? -47.62 138.0 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 129' ' ' ASP . 4.1 pp -111.25 176.89 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.467 ' N ' HD11 ' A' ' 128' ' ' LEU . 1.7 m-20 -130.31 153.98 48.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -104.69 141.12 21.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 179.14 3.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -152.28 174.7 13.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -122.93 124.08 26.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.228 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -143.46 126.37 8.88 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.557 0.694 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 128.53 16.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -173.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -174.33 134.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -163.36 -177.82 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.39 83.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 62.44 92.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.548 ' O ' ' CD1' ' A' ' 142' ' ' TYR . 53.3 p90 -90.92 111.08 22.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.403 . . . . 0.0 110.929 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.0 m -164.26 108.56 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.2 m -147.53 157.97 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -136.82 142.34 42.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.821 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 87' ' ' PHE . 4.2 mm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 14.7 t80 -94.95 127.97 41.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.472 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 11.5 ptp180 -78.22 127.58 32.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 31.4 mt -104.25 166.77 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -102.59 -41.26 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -128.3 168.98 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.467 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 2.2 t80 -89.61 117.52 68.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.651 0.738 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.35 8.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' B' ' 10' ' ' GLY . 2.9 t -117.37 160.58 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.49 ' N ' ' SG ' ' B' ' 9' ' ' CYS . . . -129.96 -24.75 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.86 53.26 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.43 HG21 ' N ' ' B' ' 13' ' ' ASN . 2.0 p -77.92 150.25 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.43 ' N ' HG21 ' B' ' 12' ' ' VAL . 6.3 t30 -124.23 77.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -46.71 144.15 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' B' ' 16' ' ' TYR . . . -129.25 -159.15 9.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' B' ' 15' ' ' GLY . 4.9 m-85 35.3 44.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -78.94 131.31 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -121.49 155.23 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -156.08 168.54 26.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -173.05 161.81 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.27 143.4 15.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -119.82 126.1 50.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 p -130.39 142.13 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.21 152.22 21.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 8' ' ' LEU . 2.4 pt? -170.37 164.0 8.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -138.83 109.62 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -143.59 139.17 29.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -117.2 82.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 t -170.51 115.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -127.64 111.16 20.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 171.04 15.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.96 8.28 30.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.7 8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -44.99 139.26 3.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.331 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 p -95.55 -24.73 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -116.42 144.99 43.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -140.22 105.1 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -70.45 115.26 9.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -112.62 165.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.5 m -134.8 99.18 4.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -53.2 130.75 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.33 173.88 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.532 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.4 p-10 -104.05 -178.13 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.93 -45.49 51.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.71 -41.11 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.06 3.28 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 m -66.15 164.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -100.22 117.09 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.8 mt -100.43 -64.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.72 124.28 3.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -84.15 140.17 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.09 170.88 28.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -117.07 123.79 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.437 ' CG ' HD23 ' A' ' 45' ' ' LEU . 37.2 tpp -95.87 131.51 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -115.55 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.87 95.33 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 43' ' ' SER . 76.2 p -112.38 137.41 50.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.4 mp0 -37.74 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.5 t -69.38 -67.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -170.39 -179.04 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 HD12 ' CD2' ' A' ' 101' ' ' LEU . 8.3 mt -88.28 130.17 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.74 142.48 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.8 mt -105.16 160.78 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -131.92 103.02 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.1 mp -116.28 152.44 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.457 ' CG ' ' N ' ' A' ' 51' ' ' ARG . 1.4 t-80 -88.13 -72.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 50' ' ' HIS . 28.5 mmt180 -56.96 -54.91 41.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -86.87 171.1 11.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.65 173.69 11.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.8 159.07 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.517 HG13 ' CZ2' ' A' ' 57' ' ' TRP . 7.6 t -128.34 151.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -130.76 134.94 47.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CZ2' HG13 ' A' ' 55' ' ' VAL . 21.7 m-90 -127.12 112.95 21.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.74 121.13 7.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -39.45 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.482 HD22 ' CE2' ' B' ' 16' ' ' TYR . 4.0 mm? -67.64 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.3 m -49.28 -32.18 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.22 99.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -69.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' HB2' ' CG2' ' B' ' 12' ' ' VAL . 14.1 ptt180 -127.16 160.74 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 8.0 p90 -144.84 119.43 9.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.73 -174.19 20.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.35 174.81 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -173.43 173.89 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 p -51.19 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -125.33 35.91 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.17 132.35 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -143.25 110.51 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -130.4 161.89 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -152.04 142.98 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -104.39 147.19 27.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -145.34 152.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.64 -166.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -100.51 -15.9 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -64.34 -12.95 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -80.17 171.45 15.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -58.75 -68.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.0 p -46.1 -39.64 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 169.34 43.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 14.5 pt20 -40.53 116.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.82 143.26 3.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.548 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 87' ' ' PHE . 42.7 mt -94.97 152.29 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.491 ' CD1' HD23 ' B' ' 1' ' ' LEU . 20.1 m-85 -140.54 123.71 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.504 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -104.3 156.88 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 12.6 m-85 -150.7 135.22 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -84.45 129.0 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.42 116.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -60.27 -14.8 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.413 ' NE ' ' HG2' ' A' ' 96' ' ' GLU . 12.7 tpt180 -99.25 29.16 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -62.16 -67.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 8.8 tt0 -33.18 -62.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.413 ' HG2' ' NE ' ' A' ' 93' ' ' ARG . 1.2 mp0 -38.38 -53.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.67 -33.24 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -76.58 -18.59 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -92.27 -22.99 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.8 tt -93.46 -32.48 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.44 ' CD2' HD12 ' A' ' 45' ' ' LEU . 11.2 mt -57.64 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -49.22 -29.63 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.43 -33.6 74.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.4 mt -89.84 -32.38 16.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.4 mmm -55.03 -49.89 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -34.12 6.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.06 -36.73 8.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 55.72 50.76 13.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -64.33 128.62 36.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 111' ' ' ASN . 13.9 mm -115.84 105.42 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 110' ' ' ILE . 12.8 p30 37.75 40.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 113' ' ' MET . 32.7 m -78.57 -43.07 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.463 ' N ' HG21 ' A' ' 112' ' ' VAL . 32.3 mtp -109.75 175.48 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.43 110.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.03 142.71 30.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.622 0.725 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.46 ' O ' ' CD1' ' A' ' 118' ' ' ILE . 53.6 Cg_endo -69.77 -172.98 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.97 129.16 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 116' ' ' PRO . 5.4 mp -121.45 158.46 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.449 ' N ' HG21 ' A' ' 118' ' ' ILE . 7.8 pt -83.43 38.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 39.9 p -143.48 171.35 14.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -63.2 101.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -171.76 148.41 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.2 t -47.24 143.1 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -134.06 120.88 15.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 175.75 7.64 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.4 176.05 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -109.82 -179.58 3.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.1 mt -116.86 -178.68 3.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -127.92 -175.74 3.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.5 pp -114.53 152.62 46.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -177.6 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 0.0 112.38 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -135.35 135.88 41.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.45 144.64 49.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -165.56 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -141.55 148.52 50.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.75 33.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.86 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -145.21 179.29 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -154.19 177.17 11.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.9 tp -164.45 106.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -86.71 -176.63 49.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -143.08 163.03 33.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.878 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 9.1 m -143.27 161.04 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.116 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.9 p -133.01 153.06 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 73.5 m -115.33 179.18 4.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.862 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 87' ' ' PHE . 6.8 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.875 0.369 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.9 t80 -113.34 136.99 52.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -87.21 115.15 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.9 mt -88.54 167.62 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -110.55 -42.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -127.2 150.0 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.42 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 1.9 t80 -72.86 117.25 58.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -42.3 3.55 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 85.3 m -83.6 98.66 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.41 -43.52 87.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.79 89.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 64' ' ' ARG . 12.0 p -113.57 151.06 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.572 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 24.1 p-10 -126.8 94.71 4.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -47.2 137.68 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.07 -69.89 0.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.482 ' CE2' HD22 ' A' ' 60' ' ' LEU . 9.7 m-85 -81.39 118.57 22.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 0.0 110.945 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.407 ' NE2' ' H ' ' B' ' 17' ' ' GLN . 2.3 pm0 -129.96 176.41 8.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -97.26 80.21 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -158.47 129.31 6.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -113.19 135.34 53.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.03 175.4 44.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -150.87 168.07 25.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -146.95 132.36 18.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.56 169.57 32.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.434 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 140.21 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -98.87 42.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -94.05 39.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.6 125.51 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.4 m -57.09 122.21 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p -39.8 113.66 0.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -164.0 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.228 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -121.17 13.74 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -125.58 0.26 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -43.79 133.45 3.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -18.94 36.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.8 p -113.02 -29.04 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -108.06 130.72 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.496 ' CD1' HG12 ' A' ' 97' ' ' ILE . 40.6 m-85 -130.74 108.08 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -63.24 110.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -105.91 174.03 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -136.61 109.32 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.19 118.27 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.9 m -122.12 173.53 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.529 ' HB2' ' CZ ' ' B' ' 2' ' ' PHE . 2.7 p-10 -108.26 -176.61 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -40.08 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.75 -34.27 76.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.56 8.22 23.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.62 164.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.156 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -101.8 113.28 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -94.21 -57.6 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.08 144.74 13.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -86.42 145.09 26.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.47 169.52 31.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -125.5 123.46 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.6 tpp -94.91 133.92 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -121.06 133.58 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -102.66 125.15 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -139.4 151.51 46.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -54.17 -14.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.95 -64.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.91 -178.46 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.7 141.78 28.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.74 149.66 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.83 147.08 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -124.52 116.02 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -129.68 121.7 27.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -62.18 -21.42 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -95.14 -52.51 4.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -89.8 -177.19 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.62 178.42 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.92 113.56 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 t -105.4 146.68 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.26 161.02 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 19.9 m-90 -146.52 113.81 4.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 131.01 20.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -48.46 -27.84 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.32 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.7 p -53.61 -38.96 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.6 mt -47.49 88.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.4 mmm-85 -53.8 -40.75 66.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -156.96 156.8 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' HH ' ' ND2' ' B' ' 13' ' ' ASN . 43.7 p90 -147.09 109.23 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.45 -158.56 11.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -167.23 170.51 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -172.71 163.26 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' LEU . 46.2 t -42.55 129.01 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 69' ' ' SER . 33.2 t30 32.87 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.3 tm? -153.27 126.47 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -145.99 117.97 8.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.1 t -131.04 167.32 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -152.8 142.05 21.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -98.6 154.87 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -149.56 145.29 26.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.03 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 5.1 ppt_? -105.45 -17.04 14.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -67.6 -12.81 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' GLN . 7.5 p -78.31 145.81 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' CYS . 14.0 tt0 -34.53 -70.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.426 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 71.5 p -46.1 -56.75 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 119.61 -173.92 15.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -57.95 132.33 53.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.0 148.93 4.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.1 mt -100.93 149.88 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.371 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -136.79 135.57 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.1 148.65 42.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -141.42 137.23 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -84.46 147.33 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.0 178.56 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -111.63 -21.89 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -118.8 45.56 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.76 79.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.88 -53.56 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -44.2 -45.22 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.496 HG12 ' CD1' ' A' ' 21' ' ' PHE . 11.0 mt -71.7 -34.18 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -76.84 -20.81 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -90.01 -22.58 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' CD2' HD11 ' A' ' 104' ' ' LEU . 1.4 tt -90.95 -38.99 12.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.66 -53.57 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -63.75 -13.88 47.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -83.16 -30.92 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.419 HD11 ' CD2' ' A' ' 100' ' ' LEU . 21.0 mt -93.97 -32.83 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 81.6 mtp -73.15 -39.06 65.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -54.23 -26.37 28.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.6 t -66.22 -40.41 90.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 56.96 29.46 16.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.477 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 28.6 t -44.72 131.27 6.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.4 mp -90.41 -34.5 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.446 ' N ' ' ND2' ' A' ' 111' ' ' ASN . 0.4 OUTLIER -60.17 -9.05 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 109' ' ' SER . 34.4 m -84.76 -8.59 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 20.5 mtt -140.11 174.08 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.72 -178.36 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -52.34 138.93 37.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.63 0.728 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.71 57.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 6.6 p -99.75 129.25 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.459 HD13 ' N ' ' A' ' 118' ' ' ILE . 2.8 mp -82.91 116.18 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.0 mt -72.38 140.36 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 t -86.37 -39.23 16.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -84.48 130.62 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -170.27 160.1 7.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -175.08 156.39 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -146.39 142.56 17.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.72 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 172.52 12.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -131.93 131.31 42.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -142.67 160.33 40.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 tp -168.31 149.23 4.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.94 168.24 9.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -124.15 137.36 28.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.705 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -176.28 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -175.25 158.43 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -173.11 130.86 0.58 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.391 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -145.76 106.87 4.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 126.81 13.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.272 . . . . 0.0 112.369 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -168.57 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -175.27 152.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -173.07 140.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 16.4 tp -174.85 129.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -142.48 153.16 24.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -171.43 140.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 110.915 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 74.6 p -119.91 119.22 32.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.3 m -91.1 -178.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 69.5 m -131.72 131.77 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.804 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.811 0.338 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 47.9 t80 -91.12 131.77 36.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -83.95 114.41 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.47 168.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -104.2 -34.4 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.28 173.01 12.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.5 t80 -83.03 119.5 74.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.722 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -5.09 15.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.463 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.5 t -111.08 158.92 18.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.14 -26.15 1.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -99.97 82.55 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.74 151.38 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.463 ' ND2' ' HH ' ' A' ' 65' ' ' TYR . 1.7 t30 -120.54 86.45 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.556 ' CD2' ' HG2' ' B' ' 19' ' ' GLN . 13.2 m-85 -39.05 151.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.87 -91.08 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -51.02 -50.2 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -72.21 109.62 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -82.58 43.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.556 ' HG2' ' CD2' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -137.92 150.38 47.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -167.68 112.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.52 124.02 4.74 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -98.7 105.41 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -127.01 151.92 47.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.9 -157.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.7 158.24 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' ARG . 2.3 p30 -117.14 116.96 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -36.64 152.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -164.38 120.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.77 42.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' A' ' 20' ' ' LYS . 25.3 t -62.5 130.55 93.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.56 57.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.14 -5.46 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -128.54 41.94 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 1.8 t-80 -75.57 134.95 72.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.18 32.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.546 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 25.7 p -107.57 -27.72 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 1.6 mppt? -113.31 159.21 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.5 m-85 -157.03 105.02 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.44 143.49 34.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.64 174.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.0 m -150.35 116.7 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.402 ' CG ' ' HB3' ' B' ' 1' ' ' LEU . 15.5 t-20 -63.42 107.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 m -112.19 163.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.531 ' HB2' ' CZ ' ' B' ' 2' ' ' PHE . 22.2 p-10 -102.33 -176.45 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' CG ' HD21 ' B' ' 4' ' ' LEU . 3.4 m-20 -47.0 -49.42 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.65 -32.92 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 0.04 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' A' ' 27' ' ' ASP . 18.4 m -58.54 164.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -95.5 103.53 15.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 24.0 mt -80.63 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.79 131.71 5.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 p -86.98 134.7 33.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.35 168.11 35.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.4 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.466 ' CG ' HD23 ' A' ' 45' ' ' LEU . 22.8 tpp -86.11 128.44 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -114.17 130.65 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 97' ' ' ILE . 9.1 mp -99.72 88.47 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 43' ' ' SER . 18.3 p -108.01 135.18 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.2 mp0 -36.04 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 41' ' ' THR . 18.7 m -66.97 -65.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -172.82 -177.68 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' A' ' 38' ' ' MET . 11.3 mt -88.85 116.1 26.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 47' ' ' LEU . 88.6 t -118.25 137.78 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' N ' HG13 ' A' ' 46' ' ' VAL . 32.6 mt -100.91 147.06 26.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.94 116.8 26.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.447 ' CB ' ' HB2' ' A' ' 52' ' ' ARG . 7.9 mp -116.27 -174.79 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -105.04 105.24 15.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.75 31.16 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 49' ' ' LEU . 21.4 mmt180 -120.87 -177.54 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -83.48 142.47 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.16 117.92 30.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.0 t -93.49 143.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -126.69 149.51 49.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -138.26 112.55 8.69 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 125.11 11.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.98 -21.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.516 ' HA ' ' CD2' ' B' ' 16' ' ' TYR . 1.3 mt -64.96 -48.1 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.73 -33.83 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.7 mt -57.29 90.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -80.66 -53.87 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -120.45 127.6 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.523 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 18.1 p90 -139.48 117.32 11.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.01 -164.63 17.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -165.76 149.07 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -141.71 169.24 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -43.56 -65.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -125.07 37.35 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 HD11 ' CG ' ' B' ' 8' ' ' PRO . 0.6 OUTLIER -151.8 120.73 6.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -131.21 106.01 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.1 t -119.18 160.18 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.49 139.56 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.97 157.09 16.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 m -152.67 152.15 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.39 -150.44 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.69 -31.73 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -48.52 -26.23 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.0 p -67.67 166.58 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -58.76 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p -49.82 -46.36 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.41 -179.76 22.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.64 158.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.16 149.83 9.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -90.71 145.54 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -126.86 118.33 24.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.34 157.12 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -153.05 135.89 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -86.12 119.45 26.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.0 t -138.5 167.71 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -100.54 -47.07 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -98.02 53.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -55.2 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 98' ' ' PHE . 12.1 tt0 -35.12 -61.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 95' ' ' GLU . 6.0 mm-40 -37.39 -57.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.447 HG21 ' CD1' ' A' ' 40' ' ' LEU . 16.4 mt -58.5 -32.08 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.24 -32.36 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -83.44 -26.28 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 tt -85.78 -36.65 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.2 mt -47.45 -68.53 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -39.65 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.32 -37.16 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.0 mt -85.64 -33.97 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.6 mtp -49.95 -35.39 23.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 107' ' ' CYS . 0.1 OUTLIER -72.93 -36.26 67.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 6.5 t -75.93 -29.92 58.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.428 ' C ' HD11 ' A' ' 110' ' ' ILE . 6.4 t-20 -52.46 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 m 64.54 54.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.428 HD11 ' C ' ' A' ' 108' ' ' ASN . 5.1 mp -103.05 78.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 42.69 52.26 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 m -46.68 -26.33 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 14.5 mmt -44.05 102.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' GLU . 7.7 tt0 -157.26 153.02 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' GLU . 6.8 pt-20 -34.59 151.58 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -174.09 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.7 t -141.92 136.69 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.5 mp -88.83 145.68 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.4 pt -92.88 144.37 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.8 p -93.64 176.16 6.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 tpp85 -53.09 122.51 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -76.83 132.22 39.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.5 t -67.36 176.21 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -84.76 139.14 37.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.537 0.685 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -175.08 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -140.39 170.14 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.55 154.42 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.577 ' C ' ' CD2' ' A' ' 128' ' ' LEU . 0.0 OUTLIER -132.89 152.3 51.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.491 ' N ' ' CD2' ' A' ' 128' ' ' LEU . 5.3 t70 -119.44 152.37 36.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -99.35 139.2 20.75 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -178.31 2.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -123.1 152.43 41.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.77 134.73 36.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.01 2.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -141.02 139.47 19.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 120.24 7.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.272 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.54 7.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.631 2.221 . . . . 0.0 112.344 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -124.29 116.98 23.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -117.6 176.74 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.403 HD11 ' C ' ' A' ' 140' ' ' LEU . 4.1 pp -103.33 163.64 12.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -94.3 -108.23 2.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.496 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -138.27 159.79 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.985 0.421 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 24.8 m -105.65 38.4 1.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 144' ' ' VAL . 24.8 t 39.75 38.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.4 m -98.87 100.58 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . 0.402 ' HB3' ' CG ' ' A' ' 25' ' ' ASN . 15.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' B' ' 3' ' ' ARG . 56.5 t80 -175.04 160.87 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.637 ' N ' ' HE ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.35 119.85 39.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.427 HD21 ' CG ' ' A' ' 28' ' ' ASP . 11.6 mt -91.53 167.77 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -104.35 -42.46 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -137.62 157.92 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -76.09 116.85 59.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.459 ' CG ' HD11 ' A' ' 71' ' ' LEU . 53.1 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -63.82 155.81 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.32 -67.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.48 98.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.382 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.75 133.01 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.523 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 5.8 t30 -110.8 80.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' B' ' 13' ' ' ASN . 33.4 m-85 -35.78 144.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.06 -95.15 1.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 60' ' ' LEU . 8.6 m-85 -66.56 77.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.34 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -115.33 143.21 45.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -54.81 120.83 7.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -167.24 137.46 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -159.5 173.22 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.97 136.49 3.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -173.25 150.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -143.25 176.37 9.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.9 175.64 22.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -152.13 174.37 13.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -162.17 144.84 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -133.43 172.17 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -109.73 -58.45 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.9 t -108.78 138.91 44.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -44.09 112.62 1.4 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 159.68 52.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.411 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.85 1.68 14.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -132.09 35.21 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.504 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -67.25 139.45 94.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.8 -28.7 24.72 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.0 p -98.12 -33.33 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 151.41 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -145.62 105.87 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -67.36 119.9 12.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.77 166.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -131.36 117.33 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.5 106.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.432 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 33.3 m -120.44 164.48 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.52 -174.02 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' N ' HD22 ' B' ' 4' ' ' LEU . 18.2 t70 -52.48 -48.8 65.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.65 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.25 1.83 4.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.432 ' O ' ' CB ' ' A' ' 26' ' ' VAL . 2.8 t -54.09 154.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -103.72 107.15 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.31 -63.96 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.16 171.44 23.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -106.72 151.56 24.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.22 163.6 35.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.07 121.32 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.437 ' CG ' HD22 ' A' ' 45' ' ' LEU . 34.1 tpp -92.0 130.26 37.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -112.26 131.48 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.2 mp -99.43 92.86 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 43' ' ' SER . 77.7 p -113.2 134.86 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' THR . 15.6 mm-40 -34.77 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' THR . 16.7 t -62.97 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -171.8 179.1 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.437 HD22 ' CG ' ' A' ' 38' ' ' MET . 12.8 mt -87.6 130.76 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -134.3 142.36 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.3 mt -104.04 165.81 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -133.54 109.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.09 177.81 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.483 ' CD2' ' H ' ' A' ' 50' ' ' HIS . 1.7 p80 -113.54 -69.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' H ' ' CG ' ' A' ' 50' ' ' HIS . 13.7 mmm180 -59.04 -34.74 72.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -98.02 175.78 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -90.51 179.08 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.69 119.28 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.564 HG13 ' CH2' ' A' ' 57' ' ' TRP . 41.4 t -101.69 134.04 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -123.35 170.06 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.564 ' CH2' HG13 ' A' ' 55' ' ' VAL . 7.3 m-90 -155.53 112.64 2.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.609 0.718 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.76 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' PRO . 24.3 m-85 -34.81 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.522 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 2.0 tt -54.59 -61.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 p -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 84.1 mt -59.51 80.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 70.8 mtt180 -82.45 -54.8 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HG3' ' CG2' ' B' ' 12' ' ' VAL . 48.3 ttp180 -104.98 118.11 35.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.464 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 24.3 p90 -138.41 118.27 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.65 -160.24 14.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -164.32 175.09 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -169.27 169.07 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -40.5 -63.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -132.16 43.43 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -150.44 125.52 9.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -134.84 115.3 13.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.0 t -129.26 167.07 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -156.31 154.23 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.505 ' CD ' ' CG1' ' A' ' 86' ' ' ILE . 4.1 mm-40 -97.12 162.41 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 98.7 p -152.89 135.82 15.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.33 -127.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -128.4 -47.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -49.59 -23.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.8 p -63.41 174.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -68.34 -62.05 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.8 p -56.85 -36.08 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 77.37 171.03 35.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' GLY . 38.6 mt-30 -33.74 133.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.22 133.61 3.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.505 ' CG1' ' CD ' ' A' ' 75' ' ' GLU . 70.7 mt -91.03 145.99 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.87 122.74 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.34 145.22 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 89' ' ' PHE . 1.9 m-85 -137.68 146.63 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -90.71 115.24 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.1 t -130.96 151.37 51.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -80.58 -35.34 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -110.82 46.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.19 -55.01 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 10.1 tt0 -47.9 -57.78 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.26 -55.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 13.4 mt -59.87 -32.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -75.5 -25.6 57.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -88.91 -24.61 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 tt -91.34 -30.72 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' ' 45' ' ' LEU . 10.9 mt -55.24 -64.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -49.91 -33.68 18.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.57 -37.06 77.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.9 mt -88.88 -41.4 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 61.3 mtp -51.6 -51.0 59.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.39 -42.8 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.4 t -47.06 -41.6 17.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' SER . 89.2 m-20 54.92 40.42 31.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' ASN . 31.3 p -34.85 119.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.2 mp -97.68 -54.93 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -51.41 -36.35 43.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 113' ' ' MET . 8.1 p -49.03 -21.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.441 ' N ' HG13 ' A' ' 112' ' ' VAL . 10.2 mtt -71.32 155.18 40.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' GLU . 3.2 pp20? -57.9 177.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLU . 35.6 mm-40 -37.7 149.85 0.18 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.724 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 152.39 69.0 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.6 t -140.75 116.61 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.61 127.93 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.411 HD13 ' C ' ' A' ' 119' ' ' ILE . 2.7 pp -121.43 147.36 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.1 t -45.59 118.58 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -77.37 151.21 34.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -139.72 177.59 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.9 p -50.98 173.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -173.06 139.0 0.85 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.553 0.692 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -176.12 1.38 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.365 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -151.5 154.1 35.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -84.92 177.58 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.7 pp -127.89 162.39 26.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.41 -179.57 3.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 pp -119.03 152.15 51.49 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -167.26 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.309 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.85 175.41 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -120.69 152.37 55.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.699 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -176.98 1.68 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -143.34 122.99 7.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 160.18 50.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.632 2.222 . . . . 0.0 112.336 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -173.37 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -135.64 176.27 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.28 170.5 11.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.7 tp -146.37 134.86 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -77.89 -148.25 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -171.03 167.81 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.933 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.2 t -153.91 169.6 23.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -157.02 160.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.1 t -150.25 152.56 34.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.816 -179.769 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -92.02 133.43 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -94.43 116.85 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 28' ' ' ASP . 14.2 mt -84.42 171.6 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -113.3 -43.01 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -123.89 148.9 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.8 114.99 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.76 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -62.08 146.44 50.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.43 0.53 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.09 92.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 64' ' ' ARG . 6.2 p -114.47 140.38 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.464 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 4.0 t30 -121.49 84.16 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' B' ' 13' ' ' ASN . 42.7 m-85 -36.33 145.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.68 -61.91 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.522 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 5.6 m-85 -83.86 45.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' B' ' 16' ' ' TYR . 21.3 mp0 -154.6 110.32 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -116.84 147.78 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -167.23 136.47 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -83.74 176.85 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.94 -153.37 5.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 m -151.39 143.74 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -139.76 149.2 43.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.12 151.52 5.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.529 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.08 137.44 45.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 110.938 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -124.76 97.0 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -121.93 89.54 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -150.47 150.08 30.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -51.93 169.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG13 ' CE ' ' A' ' 22' ' ' LYS . 13.8 p -47.9 118.2 6.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.11 69.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.373 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.23 1.98 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -131.17 34.82 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.505 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 1.8 t-80 -68.77 136.56 90.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.557 0.694 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -31.6 20.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.454 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 41.4 p -100.28 -21.05 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -116.33 135.93 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -139.73 107.39 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.468 ' CE ' HG13 ' A' ' 13' ' ' VAL . 15.8 mttp -69.19 123.29 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.92 -175.39 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.9 m -151.98 106.03 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -51.45 128.64 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.5 m -133.59 167.03 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 0.6 OUTLIER -104.64 -179.39 3.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.35 -52.76 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.21 -25.78 64.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.48 -0.92 46.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -55.5 163.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -104.92 108.8 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.29 -61.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.72 127.59 4.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -84.06 142.29 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.62 170.83 31.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.42 124.13 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.0 ttm -98.05 121.52 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -110.21 130.63 55.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.1 mp -97.53 91.2 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' SER . 36.7 p -108.74 135.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -38.19 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.8 m -66.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -172.08 179.56 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.9 127.89 35.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.8 t -125.59 148.04 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.2 mt -115.28 152.58 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.26 109.57 12.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.42 174.03 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -112.23 -39.66 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -52.7 -51.04 62.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.74 173.48 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -80.34 149.61 30.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.6 138.67 5.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.407 HG11 ' CG2' ' A' ' 82' ' ' THR . 4.7 t -117.72 157.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -136.6 157.58 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.8 m-90 -152.73 113.98 2.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 125.63 12.41 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -42.6 -28.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.49 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m -48.3 -43.97 33.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.1 mt -40.71 94.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' CYS . 47.1 mtt180 -53.98 -49.47 68.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.411 ' HD2' ' CE2' ' B' ' 7' ' ' PHE . 0.8 OUTLIER -152.31 164.8 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.554 ' CE2' ' OD1' ' B' ' 13' ' ' ASN . 46.3 p90 -141.87 123.47 15.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.8 -164.51 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 4.4 p90 -162.38 170.26 19.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.89 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' SER . 25.0 m-20 -163.97 165.51 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' ASP . 26.1 t -37.75 -65.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -131.46 37.08 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' B' ' 8' ' ' PRO . 2.5 tm? -145.08 140.0 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -145.64 119.35 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.6 t -132.55 155.1 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -144.95 144.31 30.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -100.29 143.66 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -130.08 153.63 48.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.85 -138.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -124.85 -41.5 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 3.2 ptp180 -58.06 -15.81 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.13 155.15 11.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.453 ' HG2' ' N ' ' A' ' 82' ' ' THR . 9.3 tt0 -45.46 -67.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 19.1 p -58.3 -43.54 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.89 -178.47 27.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.5 139.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.87 134.8 2.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 48.8 mt -93.97 134.98 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.466 ' CD1' ' HB2' ' B' ' 1' ' ' LEU . 2.6 m-85 -123.52 122.13 37.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.19 155.06 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -145.71 154.39 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -102.47 132.44 48.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 43.5 t -161.14 161.95 31.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 t -92.14 -40.39 11.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -92.5 35.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.64 -32.94 69.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.434 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 39.4 tt0 -66.14 -59.74 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -48.05 -22.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.0 mt -78.94 -33.92 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -74.74 -43.78 53.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.585 ' OD1' ' CZ ' ' A' ' 98' ' ' PHE . 61.8 m-20 -66.66 -37.42 84.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.3 tp -73.99 -34.8 64.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.32 -49.6 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.51 ' NE2' ' ND2' ' B' ' 13' ' ' ASN . 14.7 pt20 -67.21 -18.74 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.35 -29.62 34.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.19 -39.7 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.7 mtp -55.95 -39.92 72.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -71.04 -14.51 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' ASN . 1.8 t -78.75 -43.04 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' CYS . 1.6 p-10 -34.85 132.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' ASN . 5.6 m -36.48 123.3 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 32.4 mm -107.9 -54.1 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -123.57 45.34 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 113' ' ' MET . 55.3 t -92.25 67.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.7 ptp -31.06 107.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -149.07 149.89 31.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -45.28 131.71 5.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 145.1 56.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.403 ' C ' HD12 ' A' ' 118' ' ' ILE . 96.7 t -125.07 112.83 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 117' ' ' VAL . 5.3 mp -136.06 121.59 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.0 pt -78.46 -34.11 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 m -144.68 133.16 21.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -106.32 146.2 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -142.06 118.01 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.9 t -45.43 155.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -78.65 143.51 63.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 146.09 59.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -84.07 108.98 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -92.77 148.09 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.416 ' C ' HD13 ' A' ' 128' ' ' LEU . 4.5 pp -131.8 160.63 35.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -169.88 160.62 8.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 pp -115.25 145.48 34.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.1 35.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.4 OUTLIER -108.61 174.8 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.441 ' N ' ' HD3' ' A' ' 132' ' ' ARG . . . -114.24 141.42 26.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -109.08 140.05 21.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.622 0.725 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 129.1 17.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.367 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 158.29 57.4 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -138.09 130.19 28.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -160.53 173.87 14.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.9 pp -161.71 178.23 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -160.17 171.94 36.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -132.2 176.08 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.923 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.6 m -154.96 126.43 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 49.1 t -106.82 144.95 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t -149.58 158.73 44.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.777 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 87' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.839 0.352 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 13.0 t80 -90.29 119.23 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -82.15 129.99 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 mt -94.05 -179.32 4.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.49 -27.2 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -143.16 164.09 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.9 t80 -89.87 117.51 68.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.46 ' CG ' HD11 ' A' ' 71' ' ' LEU . 54.0 Cg_endo -69.75 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.45 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 63.6 m -50.85 139.09 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.7 -52.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -80.87 98.98 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.454 HG22 ' N ' ' B' ' 13' ' ' ASN . 7.6 p -120.72 137.89 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.554 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 9.0 p-10 -116.21 83.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 47.1 m-85 -34.35 149.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' GLN . . . -117.02 -77.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.41 75.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.957 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 15' ' ' GLY . 26.2 tp60 -69.91 127.44 32.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -108.3 174.63 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -169.73 147.93 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 t -159.67 117.59 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.19 135.65 8.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -147.49 111.11 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -80.05 163.88 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 98.0 0.12 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.416 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.09 82.3 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -159.68 149.61 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -79.01 116.22 19.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -149.55 108.34 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ASP . 60.7 p -35.76 131.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -78.34 111.94 22.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.668 0.746 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 154.63 67.59 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.67 2.246 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.65 2.55 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 4.8 t30 -111.34 -3.13 15.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -42.12 132.01 2.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' O ' ' CZ ' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.78 -33.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 p -94.33 -21.29 19.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.38 135.57 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 18' ' ' PRO . 65.2 m-85 -136.02 118.82 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -83.55 113.37 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.88 -175.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.3 m -159.18 109.81 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.98 112.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.9 m -117.09 178.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -115.31 -175.76 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.21 -48.85 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.55 -38.86 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.7 16.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 m -62.89 164.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -100.43 105.47 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.79 -60.13 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.23 129.32 4.52 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -84.15 142.04 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.94 169.61 34.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -120.65 121.1 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.4 tpp -91.52 131.8 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -118.23 130.66 56.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 97' ' ' ILE . 6.3 mp -100.69 97.22 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' GLN . 50.7 p -113.06 137.92 50.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.9 mp0 -34.67 -37.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' THR . 32.7 m -62.18 -67.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -171.64 -175.34 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.18 133.8 33.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.1 138.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 mt -100.79 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -130.25 108.37 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.87 -176.01 3.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.537 ' CG ' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -117.63 -75.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.537 ' N ' ' CG ' ' A' ' 50' ' ' HIS . 0.8 OUTLIER -48.25 -56.14 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -174.67 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.35 178.62 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.79 132.86 35.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.516 HG13 ' CZ2' ' A' ' 57' ' ' TRP . 21.4 t -108.17 151.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -139.68 160.86 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.516 ' CZ2' HG13 ' A' ' 55' ' ' VAL . 10.7 m-90 -151.83 114.39 2.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.74 123.59 10.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -39.43 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 mt -66.3 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.2 m -44.38 -39.19 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.3 mt -50.29 112.75 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -95.77 -32.62 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.69 130.69 15.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 65' ' ' TYR . 53.4 p90 -143.74 108.67 4.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.43 -162.69 11.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 12.8 p90 -147.99 172.71 13.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -170.0 -175.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -63.24 109.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 44.85 32.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.94 126.94 22.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.435 ' CZ ' HG21 ' A' ' 97' ' ' ILE . 44.6 t80 -136.16 114.41 11.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -133.66 157.77 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -149.71 138.65 21.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.55 159.42 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.8 m -154.49 153.48 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.29 -153.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -15.82 12.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.67 -13.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.77 178.56 4.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -66.42 -70.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.7 p -50.84 -33.0 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 -171.4 30.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -60.93 155.88 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.56 148.91 7.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.9 mt -98.31 126.62 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -110.85 123.34 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.502 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.99 154.06 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.4 m-85 -148.5 146.97 28.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -89.25 116.35 27.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.9 t -126.99 166.05 18.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.3 m -93.79 -36.2 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.46 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 49.1 mtp180 -112.44 47.81 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -44.84 -54.58 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 98' ' ' PHE . 24.5 tt0 -51.89 -57.02 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 93' ' ' ARG . 26.6 mm-40 -38.36 -55.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.454 HG23 ' CD1' ' A' ' 40' ' ' LEU . 21.2 mt -59.33 -33.79 52.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -77.89 -21.28 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -91.55 -28.08 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.95 -35.4 20.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.1 mt -47.34 -64.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -53.52 -33.1 53.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.56 -26.02 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.1 mt -89.68 -34.02 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.08 -61.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -41.72 -39.3 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.1 t -41.1 -45.37 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' SER . 3.7 t-20 66.53 54.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' ASN . 3.8 p -33.67 136.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 41.9 mm -108.02 -58.99 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -50.33 -20.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -56.9 -39.6 66.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 45.5 mtm 42.28 51.71 4.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -114.29 40.24 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.14 160.51 37.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.647 0.737 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.32 9.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 9.4 p -43.63 109.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.7 mm -146.25 145.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 33.7 mt -93.76 121.47 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.0 t -148.45 172.16 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -88.18 119.58 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -60.13 152.99 22.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.7 p -168.42 174.98 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -153.04 124.63 3.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.7 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -167.47 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.391 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -148.76 170.15 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -154.52 -176.45 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.7 pp -154.76 -178.08 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 130' ' ' LEU . 5.3 t70 -154.35 166.59 32.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.405 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 3.6 pp -116.24 140.85 26.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -171.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -121.49 132.12 54.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.44 143.21 28.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -163.96 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.407 ' CG ' ' HD2' ' A' ' 136' ' ' PRO . 25.8 tt0 -144.07 140.72 17.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 135' ' ' GLN . 54.0 Cg_endo -69.78 148.99 66.13 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -167.2 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -136.1 -176.64 4.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -127.24 -178.29 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 140' ' ' LEU . 0.0 OUTLIER -139.69 172.65 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -122.17 -154.48 9.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -149.02 178.84 8.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 0.0 110.975 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 25.2 m -150.49 159.54 44.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.63 178.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.2 m -171.92 -177.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.843 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.877 0.37 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.52 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 37.1 t80 -74.87 144.71 43.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.52 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 2.0 mpp_? -105.89 136.33 45.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.427 HD11 ' CB ' ' A' ' 88' ' ' ALA . 29.1 mt -105.76 166.89 10.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -103.06 -40.16 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -131.19 127.96 39.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.0 t80 -51.85 120.17 15.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.662 0.744 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.24 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.459 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 75.8 m -67.91 127.58 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.67 -77.42 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -60.05 113.66 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.421 HG22 ' C ' ' A' ' 65' ' ' TYR . 13.6 p -133.63 152.77 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.9 t30 -131.19 80.05 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 13' ' ' ASN . 30.4 m-85 -37.59 144.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.75 -101.29 2.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' B' ' 17' ' ' GLN . 14.7 m-85 -46.85 -48.82 20.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' B' ' 16' ' ' TYR . 11.3 tt0 33.91 50.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -54.83 156.84 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -170.86 153.53 3.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -165.47 155.43 12.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.82 -178.13 41.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -161.71 155.29 21.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -158.33 129.03 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.14 159.03 14.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt -146.09 160.68 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -143.97 139.2 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -130.8 144.46 51.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -88.74 -62.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -68.98 144.24 54.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.71 118.34 47.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.641 0.734 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.73 156.77 62.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.28 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.17 -0.79 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -133.43 38.52 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.556 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.3 t-80 -71.09 142.68 87.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.556 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.8 -45.59 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.2 p -85.94 -27.17 25.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HE2' ' ND1' ' A' ' 17' ' ' HIS . 1.6 mppt? -109.24 141.17 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 18' ' ' PRO . 97.0 m-85 -139.51 106.2 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -68.76 110.08 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -113.71 165.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.6 m -133.9 103.13 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -53.78 126.47 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 31' ' ' VAL . 23.9 m -125.7 -179.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.538 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.6 p-10 -108.7 -176.6 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.457 ' HA ' ' CD2' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -53.9 -40.31 66.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.94 -35.52 80.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.84 17.04 8.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 12.4 m -78.27 164.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -99.77 108.83 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.0 mt -90.61 -56.45 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.77 143.4 10.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -84.27 142.97 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -145.08 162.63 28.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -112.18 122.07 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.7 tpp -99.8 132.48 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -123.48 130.99 53.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.403 ' CD1' HG23 ' A' ' 97' ' ' ILE . 8.2 mp -101.05 93.02 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' SER . 60.6 p -108.5 135.16 50.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -40.4 -26.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' THR . 71.4 m -72.11 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -174.11 -179.22 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.48 132.7 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -124.34 145.62 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.513 HD13 ' CH2' ' A' ' 57' ' ' TRP . 9.2 mt -123.22 140.67 52.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -130.26 119.22 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.62 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -119.94 -13.66 9.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.503 ' N ' HD21 ' A' ' 49' ' ' LEU . 23.9 t-80 -177.7 177.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' H ' ' CG ' ' A' ' 50' ' ' HIS . 18.4 mmt85 -48.01 -32.94 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' HD3' ' N ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -50.36 158.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.51 ' N ' ' HD3' ' A' ' 52' ' ' ARG . 6.9 mm-40 -48.64 163.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.24 145.87 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.574 HG13 ' CH2' ' A' ' 57' ' ' TRP . 45.1 t -83.85 132.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -110.85 139.56 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.574 ' CH2' HG13 ' A' ' 55' ' ' VAL . 6.6 m-90 -123.94 111.86 28.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.13 3.27 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -43.12 -25.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.14 -65.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 63' ' ' ARG . 78.8 m -48.74 -43.99 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' CYS . 13.8 mt -35.85 93.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' CYS . 41.2 mmm-85 -67.41 -48.72 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.43 ' NH1' ' OE1' ' A' ' 75' ' ' GLU . 7.5 ptt-85 -144.29 143.12 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -139.27 112.71 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.13 -164.71 20.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.556 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -163.38 173.25 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.14 164.15 17.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -41.94 -58.87 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.26 39.95 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -153.31 127.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -141.22 112.73 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.416 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . 26.2 t -131.13 163.85 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -148.32 137.66 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 15.9 tt0 -97.32 143.88 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -132.27 153.11 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.02 -143.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -113.09 -49.03 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -53.23 -16.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.39 143.41 49.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -41.25 -47.04 3.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.462 ' CG2' ' CG1' ' A' ' 55' ' ' VAL . 64.9 p -69.86 -51.83 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 171.71 21.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -47.5 132.8 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.91 134.96 2.98 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 92.1 mt -91.94 138.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.55 ' CD1' HD12 ' B' ' 1' ' ' LEU . 17.0 m-85 -125.98 125.33 42.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -112.95 167.23 10.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 9.1 m-85 -159.09 140.31 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -90.03 124.51 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.74 -176.55 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -117.06 -22.49 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -114.07 42.51 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -39.35 -55.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.46 -49.0 7.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.403 HG23 ' CD1' ' A' ' 40' ' ' LEU . 15.9 mt -66.93 -32.71 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -28.77 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -82.59 -27.76 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.7 tp -87.87 -41.92 12.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.0 mt -45.72 -62.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -54.23 -27.18 32.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.19 -34.15 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.6 -31.63 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.417 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 11.0 mtp -61.06 -32.46 72.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -97.23 -35.98 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.82 -9.61 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 105' ' ' MET . 18.6 p30 -58.03 165.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.8 m -67.26 89.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.4 mm -118.18 -42.72 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -87.83 29.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' MET . 2.6 p -129.62 87.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' VAL . 3.2 ptm -32.68 128.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -139.85 -177.64 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -37.67 145.72 0.29 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.743 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.38 67.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.46 149.1 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.1 mp -103.5 131.77 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.6 pp -133.13 14.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 68.4 p -38.34 146.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -172.07 175.86 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -72.11 160.93 31.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.8 p -130.39 92.97 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.413 ' CD2' ' H ' ' A' ' 124' ' ' HIS . 6.0 m-70 -68.18 145.3 97.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 165.5 30.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -150.12 161.13 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.69 134.26 34.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 78.5 mt -91.44 136.67 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -129.97 168.02 17.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 pp -112.92 145.43 33.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.717 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.77 3.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -112.29 133.42 54.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -124.97 145.68 50.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 174.3 9.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.738 2.292 . . . . 0.0 112.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -126.3 142.84 43.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 142.55 48.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -172.42 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -129.69 171.41 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.74 171.62 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 140' ' ' LEU . 0.0 OUTLIER -146.65 177.98 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -139.05 -169.37 11.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -144.66 164.29 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.943 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.9 t -146.94 153.27 39.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.8 p -131.72 153.39 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.5 p -146.54 141.28 26.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' A' ' 87' ' ' PHE . 4.4 mm? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.6 t80 -44.77 131.67 6.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.23 107.29 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 28' ' ' ASP . 16.2 mt -79.82 -178.08 6.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -125.66 -37.23 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -131.7 139.18 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.12 112.97 10.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -48.27 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 98.2 m -66.66 96.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.89 -60.61 8.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -60.48 113.5 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.8 p -136.24 145.13 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 5.4 p-10 -121.84 83.51 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -44.51 125.03 4.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' B' ' 16' ' ' TYR . . . -98.57 -164.77 30.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' B' ' 15' ' ' GLY . 11.0 m-85 34.53 41.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.16 124.22 15.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' B' ' 19' ' ' GLN . 30.5 tt0 -143.7 158.05 43.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' B' ' 18' ' ' GLN . 25.3 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -157.99 171.17 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -123.96 162.75 22.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.34 -57.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -39.29 154.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -159.45 170.16 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.85 94.56 0.94 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.7 mt -121.25 103.66 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -130.98 171.66 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 mtt85 -108.34 135.53 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -66.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.8 t -67.6 127.77 33.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.7 p -72.7 121.97 86.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.674 0.749 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.51 7.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.375 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.0 -0.94 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -129.02 27.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.11 140.19 87.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.79 -31.08 21.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -100.79 -20.38 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -119.28 145.53 46.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -147.65 108.27 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 146.42 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.9 m -125.96 105.29 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -52.62 118.25 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.43 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 35.0 m -116.73 171.96 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 12.2 p-10 -107.7 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -46.25 -36.09 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.72 -35.27 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 90' ' ' LYS . . . 110.47 7.91 25.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.431 ' CG2' HD21 ' A' ' 33' ' ' LEU . 11.6 m -71.15 170.05 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.182 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -105.08 111.42 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' A' ' 31' ' ' VAL . 3.7 mt -89.44 -61.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.98 163.19 25.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -104.08 152.99 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.06 170.45 37.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.7 128.13 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.4 ttm -104.41 137.45 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -124.74 132.86 53.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 mp -101.08 88.1 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' SER . 66.7 p -102.08 138.2 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -39.06 -26.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 m -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -167.42 -178.2 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.9 mt -88.42 132.76 34.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.6 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.1 mt -112.75 161.99 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -133.26 126.65 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.1 mt -130.16 -177.83 4.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.441 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 8.9 p80 -116.84 -44.29 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' HG2' ' CE1' ' A' ' 50' ' ' HIS . 10.2 mmm180 -89.02 -46.42 8.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -89.61 169.95 10.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -81.36 167.46 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.5 129.19 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.479 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 8.1 t -96.87 147.21 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 139.55 45.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.479 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.2 m-90 -133.2 115.14 13.89 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.72 10.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -43.14 -35.17 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.77 -55.56 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -63.57 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.13 89.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -91.52 -56.41 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HD3' ' CD2' ' B' ' 7' ' ' PHE . 33.0 ttm180 -97.37 125.78 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 42.7 p90 -151.87 120.0 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.18 -153.99 8.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.629 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 3.7 p90 -167.21 166.74 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -166.39 169.38 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -45.45 110.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' SER . 1.9 p-10 46.17 37.15 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -144.21 134.91 24.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -144.59 121.86 11.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.0 t -133.58 155.44 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -147.48 144.85 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -108.18 148.31 30.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.7 p -143.84 151.76 40.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.09 -157.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -104.88 -8.68 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -75.88 -23.74 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -60.59 146.54 44.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -40.22 -60.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -54.28 -47.76 72.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 104.42 171.18 24.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.77 134.92 3.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.36 144.83 4.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.4 mt -96.71 149.03 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -136.04 123.8 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.573 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.15 155.5 20.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.7 m-85 -145.32 151.8 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 30' ' ' GLY . 30.7 mttp -98.08 123.1 41.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.3 t -164.02 110.0 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 t -52.29 -19.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -97.29 32.46 2.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -64.06 -66.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.6 tt0 -33.72 -58.85 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.33 -52.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.1 mt -65.73 -35.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -71.74 -25.69 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -89.16 -27.06 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 tp -87.2 -26.55 23.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -55.46 -18.65 7.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -38.31 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.8 mt -79.04 -40.71 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm -51.7 -40.15 59.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -80.34 -19.25 46.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 108' ' ' ASN . 49.8 t -66.96 -45.25 78.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 107' ' ' CYS . 11.5 p-10 -37.19 126.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -80.09 122.16 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.8 mp -102.05 79.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 44.32 33.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 m -99.61 8.39 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 37.6 mtt -144.62 155.03 43.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.3 104.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -104.08 149.31 37.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.751 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.42 2.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 80.5 t -86.54 135.66 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.413 HD13 ' N ' ' A' ' 118' ' ' ILE . 4.6 mp -136.53 138.96 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.47 105.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.2 p -129.28 165.97 20.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -80.17 -45.67 17.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -120.73 148.28 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.3 t -91.18 113.4 25.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -41.83 116.32 1.62 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.715 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 149.62 67.42 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 0.0 112.395 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.16 87.86 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -88.6 98.59 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.2 pp -171.12 165.53 7.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -127.3 164.31 22.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.44 107.03 0.73 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.43 16.04 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -177.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -161.59 142.71 8.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 153.93 68.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -113.85 124.01 31.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.716 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 119.52 6.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.94 152.56 36.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -118.1 143.0 46.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 tt -109.05 124.85 51.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 163.86 109.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.443 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -122.88 138.89 54.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.992 0.425 . . . . 0.0 110.883 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 8.9 t -109.44 155.13 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.89 143.99 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.2 m -41.66 115.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.409 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.4 t80 -116.51 137.13 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm85 -90.12 122.42 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.3 mt -96.17 172.46 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -115.34 -29.16 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -137.25 164.07 29.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.456 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.7 t80 -91.15 118.44 68.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 74.3 m -52.75 117.16 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.22 -60.9 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -80.13 95.42 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.461 HG21 ' N ' ' B' ' 13' ' ' ASN . 3.0 p -108.77 141.82 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.476 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 2.6 t30 -116.64 83.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.93 142.48 9.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 17' ' ' GLN . . . -117.99 -82.0 0.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -61.92 80.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 15' ' ' GLY . 16.3 pt20 -99.53 -21.74 15.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -128.68 105.06 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -131.74 160.96 33.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -173.69 124.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 163.55 12.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -173.55 158.2 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -171.72 166.81 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.49 55.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.11 93.18 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -100.33 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -120.49 -178.16 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 7.6 p-10 -64.74 -53.01 53.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -63.21 103.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.68 104.47 18.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 -179.46 2.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -95.01 7.81 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -129.47 14.88 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.5 t-80 -53.37 139.45 47.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.81 -27.52 26.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -111.39 -13.52 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -122.24 147.97 45.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -150.76 107.58 3.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -65.38 122.72 17.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -116.01 163.09 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 93.3 m -128.64 114.05 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -56.54 125.93 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.414 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 26.8 m -136.22 160.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.557 ' HB2' ' CZ ' ' B' ' 2' ' ' PHE . 0.6 OUTLIER -102.27 -176.85 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -48.5 -45.19 36.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -61.71 -27.2 68.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 3.45 54.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 26' ' ' VAL . 34.3 m -62.82 169.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.6 107.27 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -85.43 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.4 149.43 21.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.9 p -84.36 152.18 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.29 161.96 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -120.5 122.14 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.4 tpp -92.25 132.07 36.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -117.58 132.6 56.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -105.74 108.99 20.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' SER . 80.5 p -127.4 138.12 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -38.67 -26.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.1 m -73.83 -70.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.03 178.69 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.13 138.78 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.1 129.18 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.19 140.94 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.06 106.59 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -90.92 -179.72 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.44 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 4.7 t60 -62.2 -75.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 51' ' ' ARG . 4.8 mmm180 -107.04 -30.54 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 4.4 mmm180 -53.59 157.02 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.59 -175.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.47 124.0 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.5 HG12 ' CZ2' ' A' ' 57' ' ' TRP . 3.5 t -96.89 151.79 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -132.57 139.54 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.5 ' CZ2' HG12 ' A' ' 55' ' ' VAL . 22.9 m-90 -129.84 113.31 17.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.93 43.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.519 ' CB ' ' CE1' ' B' ' 16' ' ' TYR . 27.3 m-85 -64.14 -13.77 50.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' HG ' ' CE2' ' B' ' 16' ' ' TYR . 2.2 mt -71.64 -66.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 62' ' ' LEU . 4.3 p -55.31 -42.12 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 12.1 mt -35.68 98.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -57.33 -43.28 83.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -165.03 170.53 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.516 ' CE1' ' SD ' ' A' ' 105' ' ' MET . 18.8 p90 -147.99 108.75 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.77 -164.33 21.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' N ' ' SG ' ' B' ' 9' ' ' CYS . 3.1 p90 -167.45 143.83 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 110.948 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' B' ' 9' ' ' CYS . 6.2 m-20 -141.03 168.43 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.3 t -46.91 129.08 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' SER . 30.2 t30 33.18 35.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 69' ' ' SER . 2.4 tm? -150.02 141.0 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -145.74 129.76 17.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 t -147.48 165.87 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.95 149.2 27.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -151.67 151.71 31.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.2 -160.72 29.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -101.82 13.78 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -95.74 -13.49 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.56 168.3 18.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.7 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 p -43.03 -59.07 2.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.12 167.53 12.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -41.35 150.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.73 157.36 9.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 87' ' ' PHE . 17.0 mt -98.8 151.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.404 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 37.1 m-85 -128.39 115.88 18.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.421 ' HB3' ' CD1' ' B' ' 4' ' ' LEU . . . -113.18 142.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -138.23 149.47 45.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.4 mttm -85.98 122.32 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.86 177.26 8.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -117.64 -22.29 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -109.45 48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 -68.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' PHE . 5.3 tt0 -42.71 -55.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.92 -50.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.9 mt -68.99 -32.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -74.85 -21.6 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -92.05 -35.42 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 tt -77.62 -36.99 51.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.6 -50.95 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -65.51 -24.46 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.83 -29.36 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.6 mt -88.11 -45.37 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 65' ' ' TYR . 27.0 mtp -51.12 -39.48 56.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.67 -26.58 66.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.0 t -58.15 -15.88 11.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.44 ' ND2' ' CE2' ' B' ' 16' ' ' TYR . 3.9 m120 -48.5 160.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 m -103.27 58.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.423 ' CG2' ' H ' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -76.39 -167.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.423 ' H ' ' CG2' ' A' ' 110' ' ' ILE . 19.3 p30 -74.18 47.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.482 ' O ' ' CG ' ' A' ' 113' ' ' MET . 9.8 p -78.5 11.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 112' ' ' VAL . 13.2 ptp 45.36 50.62 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 115' ' ' GLU . 12.3 mt-10 -156.15 144.97 20.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' GLU . 3.5 pm0 -37.46 135.73 0.71 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.93 49.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 117' ' ' VAL . 9.8 p -127.98 115.78 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.93 151.68 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.7 pt -129.56 145.53 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.5 p -102.2 162.07 13.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -172.23 167.2 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -140.1 175.2 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 p -128.6 174.88 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -145.29 121.54 5.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.605 0.717 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.59 3.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -123.64 169.13 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -53.51 179.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.89 179.2 5.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -141.71 -177.45 5.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 pp -116.33 137.84 23.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.17 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -107.9 141.47 39.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.91 139.54 76.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.714 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -109.95 155.59 41.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.718 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 146.52 60.54 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -169.25 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -116.02 179.78 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -122.07 -178.06 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -140.64 176.79 8.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -112.76 -138.75 7.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -156.5 172.35 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.3 t -125.28 167.67 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.67 152.38 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.3 p -119.74 155.64 32.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.799 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.811 0.339 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 60.0 t80 -98.7 156.36 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 115.53 30.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 88' ' ' ALA . 12.7 mt -95.17 162.99 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -118.84 -13.25 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -131.96 168.74 17.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -116.31 110.0 43.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.11 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 20.4 m -40.05 153.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.21 -68.42 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.15 87.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.94 144.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.49 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 27.4 p-10 -135.81 143.99 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -88.67 173.57 8.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' B' ' 16' ' ' TYR . . . -144.56 -87.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.537 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.519 ' CE1' ' CB ' ' A' ' 59' ' ' TYR . 6.1 m-85 -36.53 111.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.837 0.351 . . . . 0.0 110.961 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -109.63 139.89 44.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -147.71 119.32 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -166.71 113.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -152.48 159.89 43.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 136.21 3.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -162.71 178.5 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -79.88 109.21 14.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.31 85.75 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.3 mt -134.17 135.28 42.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -173.95 133.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -136.09 158.17 45.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -78.87 -55.03 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.2 p -93.86 155.32 17.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.68 115.91 46.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.2 Cg_endo -69.75 163.3 38.78 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.374 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.49 -2.19 31.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' HB3' ' NH2' ' A' ' 93' ' ' ARG . 11.6 p30 -130.76 35.22 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.534 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.94 139.92 96.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.823 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.534 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.1 Cg_endo -69.78 -30.7 21.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.8 p -101.07 -25.16 14.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 2.0 mptp? -113.26 153.64 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.7 m-85 -149.96 107.39 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CG ' HG21 ' A' ' 37' ' ' VAL . 17.8 mttm -69.88 117.07 10.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.38 174.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.3 m -141.25 105.45 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 121.07 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.2 m -122.28 178.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.566 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 0.5 OUTLIER -110.49 -177.27 3.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -53.0 -39.13 62.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -39.56 81.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.35 5.23 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.1 m -67.2 165.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.38 114.08 27.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.64 -59.52 1.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.05 145.11 15.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.4 p -90.61 147.53 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.86 167.41 37.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.407 HG21 ' CG ' ' A' ' 22' ' ' LYS . 26.9 t -121.61 123.61 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.9 ttm -93.51 123.61 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -109.31 131.79 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 40' ' ' LEU . 10.7 mp -100.55 89.77 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 43' ' ' SER . 22.5 p -108.36 135.99 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -38.5 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' THR . 67.7 m -68.51 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 10.1 pt-20 -174.46 179.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.4 mt -89.13 115.16 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 81.7 t -115.68 142.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.5 mt -105.0 155.86 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -132.01 114.16 14.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 52' ' ' ARG . 6.0 mp -110.85 -176.1 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -92.01 -75.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.7 mtm-85 -100.23 26.15 6.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HB2' ' CB ' ' A' ' 49' ' ' LEU . 13.0 mmp_? -126.9 160.65 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.88 -178.6 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.76 135.01 46.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.15 141.18 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 -121.51 161.2 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -152.7 113.48 2.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 121.27 7.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 44' ' ' GLU . 47.7 m-85 -47.6 -26.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 1.9 tt -63.37 -45.95 88.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 5.2 p -70.84 -37.05 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.5 mt -45.14 92.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 74.5 ttt180 -53.71 -55.84 22.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.7 166.43 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CE1' ' HE1' ' A' ' 105' ' ' MET . 1.3 p90 -149.0 133.76 17.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.04 -168.85 12.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -160.74 151.9 18.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.19 168.7 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 t -48.54 -54.75 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -132.98 35.98 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD11 ' CG ' ' B' ' 8' ' ' PRO . 0.8 OUTLIER -148.85 131.07 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -140.21 116.29 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -134.19 168.86 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.48 145.27 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -98.09 154.05 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 81.3 p -153.6 152.66 31.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.76 -152.03 1.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -24.73 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -55.06 -18.85 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 p -72.97 150.05 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.442 ' HG2' ' N ' ' A' ' 82' ' ' THR . 12.2 tt0 -42.72 -66.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.442 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 53.4 p -47.45 -57.09 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.55 172.24 15.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -48.04 134.29 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 145.7 144.99 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -95.27 150.99 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -140.14 124.78 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.87 156.69 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -148.5 130.98 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -82.51 119.27 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 9.3 t -133.65 156.74 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 t -86.81 -31.35 20.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 2.7 ptp180 -118.01 52.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.38 -57.57 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 22.0 tt0 -42.65 -53.99 4.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -41.36 -54.07 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.3 mt -60.54 -33.96 56.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -74.52 -19.84 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.474 ' ND2' ' N ' ' A' ' 99' ' ' ASN . 1.1 m120 -85.69 -30.39 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.401 ' CD2' ' HG ' ' A' ' 104' ' ' LEU . 2.5 tt -90.83 -34.44 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.76 -56.79 14.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -53.16 -33.05 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.58 -25.82 62.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.401 ' HG ' ' CD2' ' A' ' 100' ' ' LEU . 86.1 mt -87.73 -44.34 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.503 ' HE1' ' CE1' ' A' ' 65' ' ' TYR . 29.7 mmm -54.82 -42.05 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.51 -35.78 63.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' ASN . 17.7 t -49.21 -58.49 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' CYS . 13.9 t30 -35.52 128.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 73.2 m -41.95 114.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.8 mm -101.86 107.76 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.4 m120 38.6 42.26 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.4 t -88.48 -57.29 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 49.6 mtt -57.59 177.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -104.46 121.05 42.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -109.52 142.73 26.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.6 68.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 2.215 . . . . 0.0 112.37 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 18.1 t -89.35 79.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 tp -54.62 141.52 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 pp -64.0 135.19 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.9 t -126.8 154.78 43.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -104.92 115.86 31.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -123.05 156.48 34.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.1 m -128.95 43.23 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -152.28 143.77 16.08 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.56 0.695 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.64 48.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.71 165.07 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -128.33 149.01 50.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -121.33 152.27 39.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.2 154.74 31.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -114.05 141.92 27.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 136.92 34.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.242 . . . . 0.0 112.334 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -117.11 144.4 44.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -144.19 149.37 44.85 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.602 0.715 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 157.83 59.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -119.18 118.67 32.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 150.72 68.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.37 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -172.77 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.338 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -143.09 116.96 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -152.45 178.65 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 15.6 tp -153.23 138.83 17.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -123.37 158.47 17.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.429 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 143' ' ' THR . 82.0 t80 -151.1 165.87 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 110.928 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 142' ' ' TYR . 15.0 t -152.64 162.12 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 145' ' ' SER . 14.9 p -150.28 141.55 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.432 ' N ' HG23 ' A' ' 144' ' ' VAL . 1.6 t -158.06 135.13 10.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.782 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 38.4 t80 -66.5 137.32 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 134.45 40.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.2 mt -103.48 163.08 12.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -93.56 -43.99 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -134.05 175.37 9.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.09 119.48 69.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.454 ' CG ' HD11 ' A' ' 71' ' ' LEU . 54.3 Cg_endo -69.76 -50.58 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -56.01 141.28 40.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.73 -62.72 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -72.8 83.48 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 m -96.15 162.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.443 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 48.7 t-20 -122.35 90.61 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -51.48 116.28 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.83 -88.98 2.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.433 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 49.0 m-85 -71.48 83.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -139.08 135.77 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -91.11 124.09 35.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -141.11 137.07 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -156.25 174.5 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.54 -174.48 41.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -144.6 132.12 20.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 p -161.42 171.52 18.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 -107.29 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -103.24 165.93 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.79 103.01 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.67 47.33 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -168.16 169.72 10.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -88.21 34.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.467 HG11 ' CE ' ' A' ' 22' ' ' LYS . 6.6 p -140.44 118.94 8.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 147.14 62.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.16 17.98 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -127.87 8.53 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t-80 -48.95 133.31 14.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.6 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -84.36 -38.99 19.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' HIS . 1.7 mppt? -97.85 155.72 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 98.1 m-85 -153.58 105.65 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.467 ' CE ' HG11 ' A' ' 13' ' ' VAL . 11.7 mttp -61.07 122.39 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.09 -179.24 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.6 m -150.85 106.99 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -59.82 126.75 28.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.7 m -129.36 168.68 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.494 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.9 p-10 -97.51 -174.1 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -54.36 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.36 6.77 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.5 151.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.72 113.28 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 12.1 mt -88.45 -64.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.42 149.31 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.8 p -97.31 143.16 28.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.27 170.65 36.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.8 t -125.16 124.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.46 ' CG ' HD22 ' A' ' 45' ' ' LEU . 28.7 tpp -91.58 129.91 37.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -114.29 132.3 56.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -97.29 90.73 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 43' ' ' SER . 21.8 p -110.77 135.99 50.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -38.26 -27.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' THR . 17.6 p -70.1 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -174.55 -178.72 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD22 ' CG ' ' A' ' 38' ' ' MET . 12.9 mt -89.87 108.77 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.94 146.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -109.17 150.7 27.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -121.96 130.13 53.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -127.54 179.91 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -107.34 111.33 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 61.01 26.03 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -133.01 153.55 51.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -56.46 163.39 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.7 160.9 15.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.604 ' CG1' ' CH2' ' A' ' 57' ' ' TRP . 37.5 t -126.31 154.36 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -139.99 161.72 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.604 ' CH2' ' CG1' ' A' ' 55' ' ' VAL . 15.2 m-90 -154.66 117.73 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.5 Cg_endo -69.76 124.05 10.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -43.45 -22.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.566 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 1.1 tp -67.85 -58.17 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.2 p -50.5 -36.6 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.82 92.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -78.12 -42.13 32.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' NH2' ' HB2' ' B' ' 7' ' ' PHE . 52.0 ttp180 -129.54 137.64 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 16.9 p90 -145.3 112.52 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.97 -163.41 13.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -166.47 159.46 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -145.87 177.47 8.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -46.61 -63.35 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -129.9 42.18 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -150.35 128.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -131.47 110.34 10.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.3 t -126.22 157.33 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.0 145.18 25.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 76' ' ' SER . 14.2 tt0 -101.9 153.73 19.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.416 ' O ' ' OE1' ' A' ' 84' ' ' GLN . 2.7 p -150.88 127.07 10.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.76 179.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 9.1 ptt180 -81.44 36.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -108.93 -34.04 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 10.0 p -59.68 145.96 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -40.43 -56.57 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -55.78 -40.41 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.47 175.77 19.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.471 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 4.6 tp60 -65.53 118.26 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 175.17 152.21 9.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 92.7 mt -93.69 126.88 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.106 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.65 114.75 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.11 132.08 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -126.97 139.66 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -85.21 131.8 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.9 p -147.37 -176.62 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -120.3 -22.16 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' ALA . 21.3 mtm180 -111.56 27.23 9.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' ARG . . . -35.0 -43.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' PHE . 11.7 tt0 -60.97 -55.66 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -39.48 -57.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.5 mt -61.34 -32.93 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -70.76 -33.45 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -79.19 -29.78 43.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.8 tt -82.61 -40.72 20.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.4 mt -53.58 -54.87 31.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.48 -26.7 61.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.59 -39.41 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.8 mt -75.78 -33.99 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm -61.75 -36.65 81.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -79.86 -9.2 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.4 t -77.8 -37.08 49.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.402 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 78.1 m-20 -66.96 176.19 2.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 m -84.89 112.29 20.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.409 HD13 ' N ' ' A' ' 110' ' ' ILE . 4.6 mp -106.03 -66.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 112' ' ' VAL . 1.9 m120 -37.03 -47.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 111' ' ' ASN . 30.6 m -35.64 -47.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.415 ' N ' ' CG2' ' A' ' 112' ' ' VAL . 10.0 mtt -43.23 164.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 57.2 50.34 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -49.47 154.68 1.51 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.73 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -174.95 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.53 122.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.48 HG21 ' N ' ' A' ' 119' ' ' ILE . 7.0 mm -118.15 142.87 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.48 ' N ' HG21 ' A' ' 118' ' ' ILE . 22.0 pt -38.22 -37.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 121' ' ' ARG . 28.6 m -66.65 160.02 26.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.435 ' N ' HG22 ' A' ' 120' ' ' THR . 32.7 ptt180 -66.75 139.9 57.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -168.57 147.5 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -81.74 152.0 27.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -125.33 121.05 24.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 174.12 9.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.9 48.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.23 128.01 34.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -174.47 156.75 2.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -170.63 131.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.65 156.12 41.07 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.583 0.706 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.11 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -168.46 137.8 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -148.95 137.08 11.54 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.602 0.715 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -174.92 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -141.09 120.78 8.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 129.42 17.52 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.335 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.66 0.76 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -77.63 176.4 9.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -109.42 -70.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.6 mp -149.43 174.51 12.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -128.74 -128.59 3.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.536 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -167.44 165.84 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.419 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 37.7 m -158.71 120.09 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 24.5 m -111.56 178.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -143.5 159.34 42.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.835 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.494 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 26.1 t80 -106.99 134.18 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -96.24 124.01 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 mt -95.16 164.65 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -99.22 -39.56 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -129.47 164.79 22.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.417 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 2.7 t80 -86.36 121.92 72.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.416 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 53.5 Cg_endo -69.79 -50.66 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.83 151.0 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.32 -73.81 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.46 99.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.62 146.17 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 18.8 p-10 -114.32 78.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -38.3 129.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.37 -96.37 2.02 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 3.7 m-85 -51.16 162.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -38.62 136.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.42 ' CD ' ' N ' ' B' ' 18' ' ' GLN . 0.8 OUTLIER -116.38 107.86 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -172.78 167.99 5.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -171.6 153.44 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.2 112.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -167.5 108.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -163.79 159.61 21.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.24 138.9 18.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.13 -51.16 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -171.8 122.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 69.3 mtp180 -120.84 79.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 20.4 m-20 -167.72 167.1 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.5 p -54.72 133.46 47.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 p -48.22 114.53 3.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.563 0.696 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.438 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.9 Cg_endo -69.75 157.14 61.45 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 13.5 m-20 -71.1 -1.13 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -134.46 40.42 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.548 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.6 t-80 -70.82 141.15 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.548 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.401 ' HG1' ' CE1' ' A' ' 17' ' ' HIS . 73.3 p -94.92 -27.9 15.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -115.45 147.18 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -147.49 108.71 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -68.81 127.0 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -125.13 174.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.3 m -137.55 107.53 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.06 119.22 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' CB ' ' O ' ' A' ' 31' ' ' VAL . 34.9 m -123.05 179.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.564 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.7 p-10 -113.27 -175.18 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.9 -42.82 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.81 -40.51 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.1 12.2 7.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 26' ' ' VAL . 20.9 m -73.73 167.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -100.55 113.47 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -96.18 -63.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.57 149.43 19.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.9 p -96.83 142.42 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -159.37 169.96 35.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -120.34 121.02 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.7 tpp -85.33 130.04 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -114.57 131.09 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 mp -102.68 76.12 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 43' ' ' SER . 36.8 p -94.43 130.99 40.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' THR . 36.7 mt-30 -35.84 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 t -65.19 -61.43 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -172.53 -179.5 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.2 mt -92.48 123.86 36.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t -123.84 142.48 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.27 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.31 103.27 15.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.2 mt -98.49 180.0 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' ARG . 13.1 t-80 -104.89 117.62 34.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' HIS . 14.5 mmt180 36.87 33.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 50' ' ' HIS . 5.9 tpt180 -114.4 -75.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -172.06 -177.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.2 124.93 9.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.501 HG13 ' CZ2' ' A' ' 57' ' ' TRP . 62.9 t -115.67 162.83 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.449 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 9.1 mtt85 -141.46 135.63 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.501 ' CZ2' HG13 ' A' ' 55' ' ' VAL . 18.3 m-90 -129.89 112.69 17.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.77 121.52 8.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -38.39 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -63.04 -60.06 3.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.4 p -58.9 -36.09 74.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 mt -48.13 97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.11 -54.93 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -153.04 172.03 17.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 3.6 p90 -149.15 131.6 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.41 -169.34 14.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -166.26 146.46 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -144.67 171.75 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.0 p -46.64 -55.91 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -133.55 42.62 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.425 HD12 ' CG ' ' B' ' 8' ' ' PRO . 0.5 OUTLIER -151.83 130.48 12.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.509 ' CZ ' HG22 ' A' ' 97' ' ' ILE . 31.9 t80 -140.6 108.98 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -129.49 167.79 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 9.4 p90 -151.67 142.73 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.28 148.5 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.3 m -146.01 153.24 40.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.38 -148.47 1.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.448 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -105.85 -37.13 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' NH2' ' CD ' ' A' ' 115' ' ' GLU . 10.7 ptm180 -45.1 -25.35 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 p -66.27 160.29 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -52.75 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p -51.11 -33.03 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.05 179.1 44.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.448 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 11.0 pt20 -44.26 141.69 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.55 149.86 5.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 87' ' ' PHE . 64.0 mt -105.01 136.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.15 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CD1' HD13 ' B' ' 1' ' ' LEU . 49.3 m-85 -121.61 123.91 43.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.74 165.03 11.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -155.78 120.78 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -67.83 118.66 11.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.9 166.67 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.4 m -108.77 -32.86 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.462 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -98.1 38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.18 -54.5 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -49.06 -55.31 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -41.87 -54.9 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 72' ' ' PHE . 14.5 mt -62.36 -31.46 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -34.94 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -72.59 -28.04 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.91 -43.78 12.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.1 mt -45.51 -52.99 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -59.92 -37.89 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.77 -25.3 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.9 mt -92.58 -30.49 15.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.404 ' HE1' ' CE1' ' A' ' 65' ' ' TYR . 9.4 mmm -68.56 -55.15 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -48.07 -30.47 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -45.06 -46.02 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 109' ' ' SER . 13.2 t-20 73.34 50.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 108' ' ' ASN . 92.9 p -33.68 121.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.48 105.46 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 39.59 45.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 112' ' ' VAL . 49.8 t -95.46 68.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.43 ' O ' ' CD ' ' A' ' 114' ' ' GLU . 4.4 mtm 64.75 47.96 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 113' ' ' MET . 3.8 mp0 -159.94 175.85 12.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.475 ' CD ' ' NH2' ' A' ' 79' ' ' ARG . 2.6 pt-20 -48.04 152.31 1.47 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.19 56.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.706 2.271 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 87.3 t -141.93 109.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.9 mp -64.06 116.44 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.517 ' O ' ' C ' ' A' ' 120' ' ' THR . 50.3 mt -78.54 -48.0 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.517 ' C ' ' O ' ' A' ' 119' ' ' ILE . 7.3 t 27.4 46.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 119' ' ' ILE . 4.0 ptm180 -171.73 146.09 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -164.11 167.8 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.4 m -160.11 175.14 13.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -154.99 114.07 2.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -175.83 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -173.35 157.82 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -155.67 173.09 17.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 129' ' ' ASP . 4.1 pp -156.93 174.44 15.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' N ' HD12 ' A' ' 128' ' ' LEU . 6.2 m-20 -162.04 167.44 24.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -125.25 134.3 25.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -175.18 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -155.08 139.62 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -139.14 131.41 15.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -168.41 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -143.65 122.17 7.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.699 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.25 47.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -171.22 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -174.57 157.38 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -173.65 159.34 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.3 tt -174.76 161.41 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -164.75 175.82 40.66 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -162.8 178.22 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.4 m -124.33 122.26 37.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.0 m -116.46 175.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.9 t -91.79 -179.01 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.838 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . 0.428 HD13 ' CD1' ' A' ' 87' ' ' PHE . 4.3 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.824 0.345 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 34.1 t80 -102.14 126.86 49.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.02 134.51 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.5 mt -105.21 166.59 10.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -97.15 -42.9 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -132.87 -179.9 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.22 120.86 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.425 ' CG ' HD12 ' A' ' 71' ' ' LEU . 54.1 Cg_endo -69.71 -49.56 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 65.2 m -60.85 145.68 49.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.19 -63.38 0.84 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -74.66 89.61 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -98.27 151.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 62.9 t-20 -108.21 92.26 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -55.4 133.54 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.38 -106.16 1.07 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.431 ' CD2' ' HA ' ' A' ' 60' ' ' LEU . 47.4 m-85 -60.56 109.89 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.935 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -87.14 -16.94 33.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.49 128.55 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -87.33 -46.77 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.805 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -77.62 161.68 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 -156.27 6.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -143.03 152.81 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -103.77 131.78 50.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.0 109.41 2.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mp -95.03 114.62 26.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.343 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -117.48 -58.18 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -59.35 134.3 56.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -115.31 -60.73 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 p -129.31 13.42 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.9 t -152.31 105.45 2.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.72 60.85 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.309 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.64 4.59 9.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.37 18.18 9.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -58.94 134.1 87.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.553 0.692 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.22 36.53 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.9 p -113.34 -17.8 12.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -120.91 130.99 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -132.88 108.27 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.25 106.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.72 177.84 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -147.07 108.44 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -54.87 130.57 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.5 m -130.72 174.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.547 ' HB2' ' CZ ' ' B' ' 2' ' ' PHE . 2.8 p-10 -109.82 -175.55 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.21 -51.87 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.78 -35.36 74.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.88 0.14 24.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.6 m -57.9 164.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -97.73 105.14 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 25.7 mt -86.42 -56.65 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.28 143.38 10.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 154.83 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.72 171.1 36.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.2 t -119.51 126.38 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 40.2 ttm -109.89 125.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -114.54 136.29 53.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 97' ' ' ILE . 7.1 mp -101.6 97.66 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 42' ' ' GLN . 41.2 p -118.37 131.71 56.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 41' ' ' THR . 94.6 mt-30 -32.45 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 8.7 t -61.34 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.95 -177.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.1 mt -88.97 121.89 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.41 HG13 ' CD2' ' A' ' 48' ' ' HIS . 55.5 t -104.62 121.98 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.77 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.41 ' CD2' HG13 ' A' ' 46' ' ' VAL . 54.0 m-70 -109.56 138.77 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -134.15 -176.38 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.503 ' HD1' ' N ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -112.37 -11.84 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.503 ' N ' ' HD1' ' A' ' 50' ' ' HIS . 27.8 mmm180 -118.74 -32.28 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 53' ' ' GLU . 19.5 tpp180 -106.98 158.61 16.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 38.8 mm-40 -78.97 149.83 32.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.48 113.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.443 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 61.8 t -98.69 124.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.7 151.95 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 2.3 m-90 -138.76 124.09 12.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.582 0.706 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 54.4 Cg_endo -69.77 140.88 43.71 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 62' ' ' LEU . 11.4 m-85 -74.19 -30.4 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' B' ' 16' ' ' TYR . 1.0 OUTLIER -73.58 -77.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 62' ' ' LEU . 1.3 m -34.76 -37.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 61' ' ' CYS . 6.0 mt -33.73 132.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -90.56 -63.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 14.0 ttp-105 -136.23 149.95 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.574 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 54.6 p90 -151.91 108.31 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.05 -168.1 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.403 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.3 p90 -156.2 162.62 40.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.8 m-20 -154.3 169.23 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' ASP . 15.3 t -35.04 -71.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -123.36 29.0 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -137.85 132.16 32.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -142.56 107.07 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.2 t -116.29 166.22 12.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.9 p90 -160.02 140.6 11.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -101.6 156.48 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.4 p -140.67 149.13 41.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' GLY . . . -62.76 -151.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -111.99 -32.3 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -64.89 -14.34 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -66.43 -175.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.07 -61.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 p -72.2 -34.32 68.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . 94.36 -162.01 24.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.9 155.12 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.03 140.67 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 98.3 mt -99.01 136.62 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' B' ' 1' ' ' LEU . 17.9 m-85 -123.82 122.6 38.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.75 129.79 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -120.45 138.92 53.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -97.57 116.18 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.1 148.39 48.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 t -80.54 -28.56 37.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -112.53 47.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -56.86 -57.21 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 98' ' ' PHE . 19.0 tt0 -37.81 -60.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -39.78 -53.71 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 40' ' ' LEU . 12.3 mt -62.48 -31.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -78.67 -25.13 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -89.14 -18.29 27.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.3 tp -95.34 -30.56 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.5 mt -54.01 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -53.66 -29.75 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.9 -36.03 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.22 -36.93 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.412 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 65.1 mtp -63.22 -47.99 80.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -55.5 -29.74 59.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.01 -28.12 68.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.464 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 76.1 m-20 56.71 39.45 29.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -40.67 112.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -96.52 64.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER 35.49 54.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.2 16.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 50.8 mtt -142.95 159.15 42.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -82.32 119.19 23.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.03 150.13 37.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 142.94 49.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 79.9 t -103.28 138.64 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 119' ' ' ILE . 26.0 mm -79.74 146.85 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.506 ' N ' HG23 ' A' ' 118' ' ' ILE . 15.6 pt -83.04 8.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.6 t -152.5 137.79 17.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -137.93 137.45 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -115.87 167.57 10.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 53.4 p -107.89 170.56 7.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -119.43 83.98 28.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.79 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -152.36 171.29 18.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -91.38 121.32 33.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.54 139.52 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -146.41 166.54 26.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -106.23 139.33 20.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 166.21 28.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -176.63 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -112.99 144.36 30.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.53 0.681 . . . . 0.0 111.137 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 170.54 16.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.47 143.0 92.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.7 57.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.748 2.298 . . . . 0.0 112.34 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -171.75 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -112.66 178.35 4.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -136.18 174.32 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 13.7 tp -155.49 151.17 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -109.59 -158.61 17.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -146.21 167.78 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 8.9 t -133.56 156.55 47.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.1 p -87.08 149.72 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.2 p -108.64 171.95 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.832 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 87' ' ' PHE . 3.8 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.832 0.348 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 15.8 t80 -48.42 122.13 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -83.81 126.9 33.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 mt -93.8 172.85 7.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.64 -39.75 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -140.17 154.99 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.38 125.28 91.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.2 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 t -66.5 153.89 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.1 -42.16 1.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -92.35 100.28 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 64' ' ' ARG . 6.6 p -116.24 138.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' B' ' 14' ' ' TYR . 8.4 t30 -104.64 70.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' B' ' 13' ' ' ASN . 54.0 m-85 -35.45 138.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.8 -81.48 1.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.567 ' CD2' HD12 ' A' ' 60' ' ' LEU . 17.2 m-85 -68.57 116.4 9.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -168.28 152.21 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -52.63 126.99 21.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -158.5 159.31 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -169.33 151.65 4.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.68 158.49 8.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 p -162.41 123.21 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -167.89 166.86 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.4 101.66 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -166.26 144.69 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -131.18 131.84 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -127.5 168.34 15.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -109.13 -64.01 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.8 p -71.31 148.68 46.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' O ' ' NZ ' ' A' ' 22' ' ' LYS . 13.6 p -73.59 116.76 54.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 154.28 67.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.661 2.241 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.65 10.24 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.05 20.25 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.497 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -62.83 140.69 97.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.589 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.74 -43.04 2.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.6 p -87.2 -23.93 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -115.8 135.38 54.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 85.7 m-85 -136.22 109.62 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 13' ' ' VAL . 17.7 mttt -67.88 119.53 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -119.8 164.82 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.4 m -131.65 109.9 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.16 108.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 31' ' ' VAL . 27.6 m -115.1 -178.91 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.544 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.4 p-10 -113.3 -174.91 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.87 -39.41 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.51 -39.59 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.81 15.64 7.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 26' ' ' VAL . 13.1 m -75.92 164.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -96.43 110.13 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.77 -58.16 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.37 138.98 7.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.9 p -84.74 138.85 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.64 165.65 30.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.08 122.13 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.4 tpp -89.08 133.69 34.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -124.27 131.09 53.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.45 88.53 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.466 ' O ' ' C ' ' A' ' 42' ' ' GLN . 13.9 p -107.07 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' THR . 38.8 mt-30 -32.98 -40.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -58.65 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -174.96 -179.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.0 mt -87.62 120.25 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.01 138.96 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD13 ' CZ3' ' A' ' 57' ' ' TRP . 13.5 mt -110.77 128.53 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -106.06 125.18 50.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -129.08 171.67 12.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -105.25 -60.12 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -73.75 -50.98 18.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -82.86 -178.08 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -91.82 -177.63 4.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.78 137.02 41.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.509 ' CG1' ' CZ2' ' A' ' 57' ' ' TRP . 48.7 t -116.48 160.38 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.52 157.83 45.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.509 ' CZ2' ' CG1' ' A' ' 55' ' ' VAL . 29.6 m-90 -148.95 111.83 3.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 127.97 15.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -43.13 -31.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 0.2 OUTLIER -58.82 -59.52 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.67 -40.59 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.27 105.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -70.88 -52.58 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -136.89 120.52 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.45 161.31 15.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.441 ' HB3' ' CB ' ' A' ' 98' ' ' PHE . 5.3 p90 -124.98 168.63 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.57 -176.07 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LEU . 48.2 t -70.8 123.47 22.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 39.19 25.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -136.68 127.81 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.492 ' CZ ' HG21 ' A' ' 97' ' ' ILE . 39.5 t80 -136.83 116.6 13.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.5 t -140.68 158.19 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -145.39 146.75 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -107.36 135.69 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 m -138.03 137.99 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.68 160.74 51.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.462 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -47.91 -26.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -21.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.7 p -74.06 165.72 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.31 -69.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.8 p -46.3 -40.78 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 111.05 176.84 20.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.462 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 8.5 tt0 -51.83 137.95 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.31 143.2 4.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 70.3 mt -94.64 141.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.498 ' CD1' ' HB2' ' B' ' 1' ' ' LEU . 8.7 m-85 -126.07 124.61 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -105.85 158.59 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 11.4 m-85 -153.36 136.92 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -84.23 119.24 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.74 172.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.5 t -97.11 -40.44 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -109.41 58.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.25 -57.25 13.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' PHE . 15.4 tt0 -49.08 -55.69 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.38 -47.7 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.492 HG21 ' CZ ' ' A' ' 72' ' ' PHE . 20.0 mt -63.34 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.1 -19.75 59.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -90.3 -22.98 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 tt -91.4 -36.57 13.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.28 -54.07 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.1 -33.78 65.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -24.86 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.5 mt -94.16 -26.22 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.543 ' SD ' ' CE1' ' B' ' 16' ' ' TYR . 12.6 mmm -77.77 -51.92 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -47.55 -29.19 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 37.9 t -45.96 -29.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 109' ' ' SER . 32.1 m-20 57.79 45.17 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' ASN . 3.1 m -34.3 108.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.3 mt -94.9 -73.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -114.75 57.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.83 -44.2 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.7 mmt -57.09 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 115' ' ' GLU . 15.2 pt-20 -103.73 174.08 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 114' ' ' GLU . 7.7 pt-20 -35.41 148.12 0.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.56 59.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.51 136.05 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.88 124.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.52 141.31 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.2 t -47.9 157.93 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -60.83 154.41 22.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -119.09 170.98 8.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.475 ' O ' ' CD2' ' A' ' 124' ' ' HIS . 78.7 p -97.03 175.46 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 123' ' ' SER . 71.3 m-70 -158.69 139.67 9.4 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.529 0.681 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.22 152.1 36.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.77 150.22 34.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.26 118.05 35.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -60.74 168.47 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.0 pp -112.43 148.34 38.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.711 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 159.9 51.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -95.23 -179.77 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 132' ' ' ARG . . . -126.54 153.13 75.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.076 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -176.15 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -131.62 152.17 79.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.539 0.685 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 146.2 59.59 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.653 2.236 . . . . 0.0 112.39 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -179.58 3.0 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.749 2.299 . . . . 0.0 112.324 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.44 178.14 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.57 178.59 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.1 tp -136.86 153.93 50.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -109.26 -151.23 14.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -148.26 137.23 21.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 44.0 p -102.12 137.9 39.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.32 131.35 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.2 m -51.01 157.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 -179.78 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . 0.498 ' HB2' ' CD1' ' A' ' 87' ' ' PHE . 7.2 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 41.6 t80 -77.88 134.4 37.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.566 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -89.78 147.22 23.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.426 HD12 ' CB ' ' A' ' 88' ' ' ALA . 12.5 mt -117.83 153.07 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -84.63 -49.6 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -125.52 160.45 29.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 5.7 t80 -85.04 118.38 70.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.407 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 54.2 Cg_endo -69.73 -45.82 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.502 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 33.3 m -65.53 95.76 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -61.51 5.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.35 101.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.463 HG22 ' N ' ' B' ' 13' ' ' ASN . 7.2 p -121.18 141.29 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.463 ' N ' HG22 ' B' ' 12' ' ' VAL . 5.5 t30 -101.59 82.88 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -44.92 127.71 6.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.19 -172.27 13.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.543 ' CE1' ' SD ' ' A' ' 105' ' ' MET . 4.1 m-85 43.67 41.39 3.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -105.88 156.22 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' B' ' 19' ' ' GLN . 61.7 tt0 -142.2 134.78 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' B' ' 18' ' ' GLN . 24.1 pt20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -164.74 128.05 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -152.26 147.89 26.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.4 105.39 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -117.86 102.71 9.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -163.28 169.85 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.15 137.82 2.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 mp -81.53 175.47 10.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.805 0.336 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -96.52 152.56 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -128.11 147.66 50.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -68.69 -52.84 26.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -128.82 156.02 44.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 p -72.22 115.48 39.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.75 160.67 48.85 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 9.1 p30 -74.74 0.24 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -130.58 32.11 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.538 ' CD2' ' HD2' ' A' ' 14' ' ' PRO . 1.5 t-80 -64.6 139.01 97.63 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.05 27.94 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 p -104.12 -29.35 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -114.89 152.11 32.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 27.9 m-85 -145.61 106.11 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -65.01 113.42 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -114.44 167.63 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -134.78 99.1 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -52.3 126.6 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.11 -178.24 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.56 ' HB2' ' CE2' ' B' ' 2' ' ' PHE . 1.3 p-10 -112.44 -174.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.17 -48.16 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.78 -40.03 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.73 17.25 6.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.5 m -76.83 161.82 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -97.34 113.79 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.91 -61.43 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.11 142.86 13.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -90.93 138.63 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.96 166.93 29.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -119.88 121.27 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.402 ' CG ' HD23 ' A' ' 45' ' ' LEU . 40.3 ttm -95.58 125.7 40.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -109.52 130.95 55.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 97' ' ' ILE . 8.2 mp -99.35 81.1 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' GLN . 76.9 p -99.4 136.5 39.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 32.0 mt-30 -35.32 -39.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -58.36 -65.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -174.48 -177.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD23 ' CG ' ' A' ' 38' ' ' MET . 16.0 mt -87.5 129.71 34.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 47' ' ' LEU . 85.3 t -133.49 136.46 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.44 ' N ' HG11 ' A' ' 46' ' ' VAL . 38.2 mt -100.84 163.96 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -132.0 110.8 11.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 49' ' ' LEU . 4.5 mm? -111.52 -174.94 2.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -106.54 -62.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -93.05 -31.57 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -78.12 160.21 28.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -73.47 177.08 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.54 113.74 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.526 HG13 ' CH2' ' A' ' 57' ' ' TRP . 43.7 t -92.38 130.55 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -125.2 166.53 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.526 ' CH2' HG13 ' A' ' 55' ' ' VAL . 10.2 m-90 -152.78 112.8 2.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.73 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -40.51 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 tt -64.97 -68.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ARG . 99.9 m -48.94 -42.12 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 61' ' ' CYS . 10.7 mt -33.77 95.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.6 tpp180 -57.87 -57.58 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.443 ' HB2' ' CG2' ' B' ' 12' ' ' VAL . 8.4 ptp180 -146.18 145.93 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -125.48 116.19 21.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.57 -178.83 20.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.27 163.32 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.921 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -159.74 160.68 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.0 m -41.5 -59.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -131.44 36.5 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.79 125.23 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -134.76 115.03 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -127.02 165.94 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -149.96 155.73 40.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 8.1 mp0 -97.13 155.08 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.6 p -146.33 133.49 20.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.11 -139.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -123.07 -33.79 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -64.93 -13.66 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.2 p -68.75 -176.41 0.82 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -77.38 -55.25 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.481 HG21 ' CZ2' ' A' ' 57' ' ' TRP . 4.0 p -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.8 173.19 37.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -44.36 144.5 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.28 131.76 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.0 mt -90.77 126.72 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -111.69 126.51 55.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -105.64 158.12 16.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -144.97 150.72 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -104.86 138.37 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.5 p -163.08 -175.02 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.9 m -122.08 -23.34 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -107.36 32.65 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.88 -59.21 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -45.34 -46.75 13.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 40' ' ' LEU . 18.9 mt -69.58 -34.81 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -29.11 63.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -77.52 -31.94 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 45.4 tp -86.85 -35.13 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.6 mt -47.56 -62.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -58.16 -29.53 65.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.26 -26.22 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.4 mt -91.73 -39.2 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 21.6 mtp -53.13 -54.26 38.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -49.49 -39.41 33.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.7 t -50.42 -30.98 13.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 50.74 53.49 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.4 m -83.46 68.76 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.458 ' CD1' ' N ' ' A' ' 110' ' ' ILE . 0.9 OUTLIER -81.59 -167.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.437 ' H ' ' CG2' ' A' ' 110' ' ' ILE . 2.8 m-20 -74.14 47.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.17 -35.25 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.9 mtt -55.71 178.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -39.04 102.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -171.07 160.73 5.45 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.29 11.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.412 ' C ' HD11 ' A' ' 118' ' ' ILE . 71.3 t -91.12 145.67 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.412 HD11 ' C ' ' A' ' 117' ' ' VAL . 5.3 mp -139.74 146.26 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.9 82.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.7 p -144.05 176.57 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -103.55 113.41 26.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -138.57 172.34 13.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.4 m -131.78 177.54 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -69.25 112.21 11.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -174.44 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -119.43 172.8 7.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -132.13 160.21 36.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.2 tp -73.29 136.42 44.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -75.05 -178.59 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 pp -115.91 155.46 47.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 168.7 20.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 132' ' ' ARG . 9.2 ttp-105 -100.97 156.34 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.88 151.48 4.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -168.72 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -119.9 149.32 48.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.67 68.48 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -164.46 0.13 Allowed 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.677 2.252 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -117.14 178.13 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -86.24 -177.49 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.3 tp -127.81 140.34 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -78.52 -144.59 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -155.38 171.73 19.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.956 0.408 . . . . 0.0 110.97 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 68.3 p -132.3 177.78 7.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.1 p -139.57 162.71 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 67.3 m -95.69 178.19 5.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . 0.568 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 13.3 t80 -105.78 117.75 34.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . 0.568 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -67.87 149.28 50.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 15.9 mt -117.81 165.67 13.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -99.7 -44.84 5.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -136.61 155.43 49.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' B' ' 9' ' ' CYS . 0.8 OUTLIER -68.97 113.49 16.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.881 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 3.03 3.03 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.503 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 19.5 t -100.64 -74.68 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.9 -42.5 1.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -95.87 90.64 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 64' ' ' ARG . 5.4 p -114.35 138.45 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' B' ' 14' ' ' TYR . 10.4 p-10 -97.72 81.38 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 10.0 m-85 -34.72 134.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -119.58 -67.66 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.411 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 39.4 m-85 -76.21 -40.41 52.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.944 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -66.25 96.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.97 144.74 56.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.817 0.257 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.7 3.24 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -132.0 30.94 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -65.35 141.08 97.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.74 -35.06 13.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 p -99.34 -23.0 15.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -115.55 155.7 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 58.4 m-85 -155.19 105.55 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.08 113.55 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.4 164.15 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 26' ' ' VAL . 40.4 m -132.02 100.07 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.456 HD22 ' N ' ' B' ' 2' ' ' PHE . 60.6 t30 -53.21 118.66 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 24' ' ' THR . 33.7 m -115.93 175.8 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.746 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.8 p-10 -108.19 178.51 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -44.54 -42.64 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.81 -3.44 27.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.746 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.8 m -58.53 165.82 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.89 114.59 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 13.7 mt -94.46 -53.99 3.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.99 153.46 25.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 p -94.29 147.36 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.2 34.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.47 123.21 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.483 ' CE ' HD21 ' A' ' 47' ' ' LEU . 44.2 tpp -94.03 139.32 31.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.752 ' O ' HD23 ' A' ' 45' ' ' LEU . 12.3 tt0 -120.08 132.74 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.7 HD11 HG23 ' A' ' 97' ' ' ILE . 8.9 mp -109.48 84.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.1 OUTLIER -114.01 140.04 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 11.8 mp0 -35.14 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 12.0 t -58.97 -71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -174.53 179.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.756 HD11 HD21 ' A' ' 101' ' ' LEU . 11.4 mt -88.66 124.49 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -126.35 131.77 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.879 HD12 ' CH2' ' A' ' 57' ' ' TRP . 17.5 mt -100.93 141.34 33.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.494 ' C ' HD23 ' A' ' 49' ' ' LEU . 87.3 m-70 -115.6 140.68 48.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.438 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 14.2 t -141.61 157.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' N ' HG12 ' A' ' 55' ' ' VAL . 10.5 mtt180 -137.47 151.08 48.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.879 ' CH2' HD12 ' A' ' 47' ' ' LEU . 27.5 m-90 -139.95 114.79 7.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.69 21.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.619 ' HA ' HD12 ' A' ' 62' ' ' LEU . 21.1 m-85 -52.88 -21.84 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' CYS . 4.3 mm? -63.62 -75.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 3.0 m -36.17 -51.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 59' ' ' TYR . 54.3 mt -34.74 96.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.534 ' NH1' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.76 -45.13 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -134.96 138.35 43.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.695 ' C ' HG23 ' B' ' 12' ' ' VAL . 23.4 p90 -140.2 108.34 5.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.98 -162.81 12.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -160.59 169.29 23.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.935 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' SER . 5.0 m-20 -174.14 165.6 4.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 70' ' ' ASN . 5.2 m -38.11 119.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.8 p-10 32.84 42.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.3 tm? -146.54 126.53 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 101' ' ' LEU . 48.3 t80 -143.83 130.79 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -148.86 168.46 22.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -151.46 146.16 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.07 131.77 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -128.01 153.22 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.534 ' N ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.47 -148.1 0.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.04 -2.32 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -84.26 -12.85 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' GLN . 10.5 p -76.94 151.53 35.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' CYS . 9.8 tt0 -37.54 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.415 HG23 HG11 ' A' ' 55' ' ' VAL . 27.3 p -47.42 -59.83 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.72 -173.57 16.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.7 129.97 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 87' ' ' PHE . . . 144.65 148.76 4.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.519 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.5 mt -93.64 152.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' A' ' 85' ' ' GLY . 1.0 OUTLIER -137.0 118.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.622 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.75 155.84 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -146.58 149.55 33.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -98.66 126.12 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.48 179.43 6.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 t -104.85 -24.6 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -122.98 49.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.98 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.53 -48.51 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.05 -48.17 44.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.7 HG23 HD11 ' A' ' 40' ' ' LEU . 11.5 mt -66.98 -31.94 55.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -37.75 67.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.0 -20.43 59.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.519 HD23 HD22 ' A' ' 40' ' ' LEU . 34.4 tp -92.79 -35.42 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.756 HD21 HD11 ' A' ' 45' ' ' LEU . 12.4 mt -52.75 -53.65 45.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -63.6 -12.52 33.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.7 -36.9 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 40' ' ' LEU . 19.3 mt -85.69 -30.17 23.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.0 mtp . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.804 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.466 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 44.1 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.874 0.369 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -91.37 122.65 34.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.8 mt -95.96 158.37 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -84.35 -39.7 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -148.94 170.11 19.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.3 t80 -74.32 117.94 65.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.53 18.84 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.2 t -102.06 160.32 14.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.75 -31.89 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -98.81 96.07 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.695 HG23 ' C ' ' A' ' 65' ' ' TYR . 6.7 p -123.4 141.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.488 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 8.9 p-10 -105.01 77.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' B' ' 13' ' ' ASN . 18.2 m-85 -36.23 133.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.482 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.767 0.236 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.81 -0.55 43.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -124.31 29.05 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.97 140.67 97.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.77 -34.82 13.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -98.3 -20.17 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 141.88 48.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -140.84 105.46 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -68.43 114.72 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.632 HG12 ' HB3' ' A' ' 91' ' ' CYS . 30.9 m -112.96 165.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 26' ' ' VAL . 98.0 m -133.06 99.16 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -49.72 137.2 16.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HG3' ' A' ' 90' ' ' LYS . 34.7 m -132.12 -179.67 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.934 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -109.94 -177.5 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.51 -38.08 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.76 -41.97 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.3 4.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.934 HG22 ' OD1' ' A' ' 27' ' ' ASP . 35.7 m -79.01 169.85 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -103.36 115.1 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.2 mt -100.32 -66.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.6 135.41 7.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -86.79 153.1 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.78 170.18 36.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.0 t -121.69 122.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.565 ' SD ' HD22 ' A' ' 45' ' ' LEU . 33.7 tpp -94.32 129.73 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 41' ' ' THR . 26.8 tt0 -113.14 130.95 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.722 HD11 HG23 ' A' ' 97' ' ' ILE . 8.5 mp -98.75 87.79 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.641 HG23 ' HG2' ' A' ' 39' ' ' GLU . 37.8 p -108.29 133.66 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . 86.3 mt-30 -34.53 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' THR . 19.5 m -62.0 -65.1 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -174.49 -179.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD22 ' SD ' ' A' ' 38' ' ' MET . 11.7 mt -87.9 116.43 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.598 HG22 ' CG ' ' A' ' 56' ' ' ARG . 87.4 t -116.79 138.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD12 ' CH2' ' A' ' 57' ' ' TRP . 17.0 mt -101.47 157.87 16.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -127.01 124.48 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 56' ' ' ARG . 23.4 t -118.75 159.65 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.598 ' CG ' HG22 ' A' ' 46' ' ' VAL . 2.1 mpp_? -141.39 153.18 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.421 ' CH2' HD12 ' A' ' 47' ' ' LEU . 14.3 m-90 -141.04 113.49 6.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.545 0.688 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 122.94 9.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.779 ' HA ' HD12 ' A' ' 62' ' ' LEU . 26.5 m-85 -45.0 -27.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.81 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.423 ' SG ' ' CG ' ' A' ' 79' ' ' ARG . 60.6 m -49.6 -43.26 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 59' ' ' TYR . 31.2 mt -41.58 97.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' CYS . 13.5 ptm180 -71.27 -38.28 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.31 156.78 42.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 7.5 p90 -151.59 124.25 8.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.97 -164.02 12.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -167.64 158.54 11.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -147.17 168.24 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -52.31 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 34.65 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.7 OUTLIER -150.17 127.73 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.634 ' N ' HD13 ' A' ' 71' ' ' LEU . 25.7 t80 -137.7 119.6 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.7 t -137.35 166.25 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -147.69 142.43 26.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -97.24 155.74 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -153.27 153.77 33.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -78.93 -133.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' CYS . 32.2 mtp180 -110.64 -48.94 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' CG ' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -36.11 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' ARG . 11.1 p -63.48 149.02 47.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 82' ' ' THR . 18.4 tt0 -43.65 -69.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 65.7 p -52.72 -37.34 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 85.71 -179.03 50.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLY . 3.8 pt20 -35.98 147.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.34 143.49 6.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.556 HG22 HD12 ' B' ' 4' ' ' LEU . 22.3 mt -101.71 144.64 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -130.06 119.73 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.93 165.97 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -156.03 136.37 13.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.56 ' HG3' HG11 ' A' ' 26' ' ' VAL . 28.2 mttm -88.31 116.73 26.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.632 ' HB3' HG12 ' A' ' 23' ' ' VAL . 5.0 p -132.49 -179.22 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 t -114.89 -19.56 10.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -119.61 43.56 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.52 -60.76 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 98' ' ' PHE . 9.3 tt0 -43.92 -57.24 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -38.36 -56.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.722 HG23 HD11 ' A' ' 40' ' ' LEU . 10.5 mt -61.35 -33.07 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -71.76 -32.73 68.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -83.23 -19.56 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 100' ' ' LEU . 1.7 tt -93.77 -33.29 13.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 45' ' ' LEU . 11.0 mt -58.13 -63.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -50.86 -22.57 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.61 -30.24 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.78 -37.67 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 71.6 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.809 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.1 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.74 110.12 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.556 HD12 HG22 ' A' ' 86' ' ' ILE . 13.6 mt -82.5 169.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 44.2 mtm-85 -101.91 -41.67 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -135.68 -179.16 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -93.46 120.36 66.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -47.23 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -56.86 140.28 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.72 -47.0 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.46 87.5 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -106.89 146.22 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 19.3 p-10 -116.1 94.0 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -48.71 140.0 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.837 0.265 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 5.59 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -133.27 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.34 140.73 88.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.643 0.735 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 54.4 Cg_endo -69.72 -26.87 27.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.9 p -105.06 -24.67 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 120.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.24 105.51 9.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG2' HG22 ' A' ' 37' ' ' VAL . 13.2 mttp -70.38 111.85 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.34 173.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.515 ' O ' HG13 ' A' ' 26' ' ' VAL . 19.4 m -142.95 105.08 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.521 HD21 ' HE2' ' A' ' 89' ' ' PHE . 15.2 t-20 -54.96 120.66 7.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' A' ' 90' ' ' LYS . 25.5 m -118.64 163.22 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.742 ' OD1' HG22 ' A' ' 31' ' ' VAL . 6.5 p-10 -95.87 -178.57 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -41.05 59.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.97 -35.93 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.86 3.26 25.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.742 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.7 m -69.17 164.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.44 106.99 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.63 -60.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.69 146.98 18.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.3 p -90.52 148.17 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.77 169.49 36.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.53 HG22 ' HG2' ' A' ' 22' ' ' LYS . 69.7 t -127.17 121.63 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.9 tpp -93.44 128.36 39.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -110.08 133.19 53.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.736 HD11 HG23 ' A' ' 97' ' ' ILE . 6.7 mp -102.62 99.39 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' SER . 71.4 p -113.96 137.73 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -39.83 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 7.3 m -73.76 -71.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -161.36 -176.23 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 62' ' ' LEU . 10.9 mt -92.08 134.02 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.651 HG22 ' CG ' ' A' ' 56' ' ' ARG . 70.3 t -133.45 145.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.526 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 16.0 mt -109.38 162.83 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.426 ' C ' HD23 ' A' ' 49' ' ' LEU . 96.4 m-70 -133.17 108.72 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.885 0.374 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.515 HG11 ' CG2' ' A' ' 82' ' ' THR . 5.7 t -115.4 146.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.651 ' CG ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -133.92 175.06 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.732 ' HZ2' HG21 ' A' ' 82' ' ' THR . 24.3 m-90 -155.44 121.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.77 121.87 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.248 . . . . 0.0 112.377 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 62' ' ' LEU . 16.8 m-85 -41.98 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' PRO . 3.9 mm? -68.28 -68.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.9 m -43.69 -34.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 59' ' ' TYR . 17.7 mt -52.29 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -125.71 146.84 49.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 43.6 p90 -144.44 110.95 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.91 -159.5 12.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.406 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 2.7 p90 -164.24 165.97 21.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -174.19 161.22 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.9 t -41.03 128.31 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.0 p-10 32.12 36.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.6 tm? -146.3 127.57 14.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.462 ' N ' HD13 ' A' ' 71' ' ' LEU . 32.9 t80 -146.23 116.59 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -131.34 168.88 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -160.19 139.75 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -97.58 161.67 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 p -154.47 154.15 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.69 -139.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -123.36 -22.48 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -66.73 -13.95 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.0 p -60.02 175.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.36 -44.92 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.732 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 37.6 p -67.29 -32.75 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 93.6 154.22 30.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' GLY . 10.4 pt20 -35.11 132.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.05 147.17 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.493 HG22 HD12 ' B' ' 4' ' ' LEU . 68.5 mt -95.36 141.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -130.56 116.24 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.8 150.03 25.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HE2' HD21 ' A' ' 25' ' ' ASN . 4.0 m-85 -142.71 143.69 32.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.544 ' HG3' HG11 ' A' ' 26' ' ' VAL . 32.5 mttp -85.16 130.17 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.2 t -169.23 111.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -59.66 -21.74 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 36.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.46 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.01 -58.5 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -42.43 -43.96 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.736 HG23 HD11 ' A' ' 40' ' ' LEU . 10.0 mt -72.7 -35.73 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -73.43 -23.64 60.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -89.71 -24.82 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 100' ' ' LEU . 1.4 tt -91.05 -26.31 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.14 -55.95 23.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.5 -17.74 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.52 -34.69 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.7 mt -87.62 -42.07 12.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 37.3 mmm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.825 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 32.4 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.493 HD12 HG22 ' A' ' 86' ' ' ILE . 13.7 mt -85.58 -178.03 6.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -107.61 -27.89 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -155.95 -177.35 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 2.3 t80 -94.39 120.23 65.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.762 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -45.62 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.415 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 8.6 m -50.41 140.64 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.92 -39.45 2.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -103.9 82.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.99 161.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.545 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 1.8 t30 -131.26 96.49 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.56 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.774 0.239 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -94.09 -1.06 54.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -103.86 -11.77 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 2.6 t-80 -44.22 120.51 3.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.09 32.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.493 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 22.7 p -97.26 -28.03 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 9.1 mptt -109.87 152.49 25.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.4 m-85 -154.83 105.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -61.95 122.64 15.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -121.04 165.47 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -135.74 110.29 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.31 130.75 48.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.8 170.72 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.71 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -105.18 -174.98 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.35 -42.97 61.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.27 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.07 0.48 26.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.71 HG22 ' OD1' ' A' ' 27' ' ' ASP . 11.5 m -60.55 165.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -103.75 115.12 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 17.6 mt -92.26 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.54 155.49 23.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.0 p -98.32 144.23 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.74 164.43 31.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -117.97 121.69 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.9 ttm -93.19 134.94 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.19 132.05 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.809 HD11 HG23 ' A' ' 97' ' ' ILE . 8.4 mp -101.85 112.13 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -127.9 139.43 52.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -38.95 -32.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.9 m -66.49 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -170.69 -176.66 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 101' ' ' LEU . 10.1 mt -89.32 132.2 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 56' ' ' ARG . 99.3 t -131.18 138.34 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.726 HD12 ' CH2' ' A' ' 57' ' ' TRP . 12.6 mt -106.81 158.17 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -126.83 119.74 27.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.825 0.345 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.594 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 40.9 t -122.18 154.25 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG2' HG22 ' A' ' 46' ' ' VAL . 28.8 mtt180 -129.8 142.71 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.726 ' CH2' HD12 ' A' ' 47' ' ' LEU . 16.5 m-90 -135.42 114.08 11.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 132.08 22.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.904 ' HA ' HD12 ' A' ' 62' ' ' LEU . 20.7 m-85 -49.86 -18.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' CYS . 5.7 mt -74.97 -73.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 63' ' ' ARG . 90.1 m -37.16 -38.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 59' ' ' TYR . 21.8 mt -40.91 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' CYS . 11.0 mmm180 -59.92 -36.03 76.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.533 ' HB2' HG21 ' B' ' 12' ' ' VAL . 9.1 ptp180 -166.88 149.59 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.508 ' C ' HG23 ' B' ' 12' ' ' VAL . 51.4 p90 -143.44 114.86 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.38 -161.55 12.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -162.08 161.34 28.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.0 m-20 -151.23 166.38 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ASP . 5.8 m -36.69 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -123.8 37.35 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.3 tm? -146.82 139.23 24.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.753 ' N ' HD13 ' A' ' 71' ' ' LEU . 45.3 t80 -145.87 121.59 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.0 t -136.32 160.24 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 5.1 p90 -147.99 149.19 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -105.98 166.21 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -148.82 153.53 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.18 -147.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.83 -27.97 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.89 -14.32 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.93 163.12 22.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -59.72 -65.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.1 p -49.83 -33.47 16.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.8 177.79 40.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -51.16 147.06 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.11 149.57 6.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 81.6 mt -98.88 148.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -133.43 124.04 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -107.58 159.99 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 3.5 m-85 -149.95 143.43 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -94.31 139.0 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.87 173.69 14.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.5 p -109.74 -12.53 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -120.34 28.38 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -40.03 -49.77 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.485 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 36.0 tt0 -53.43 -53.11 55.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -40.96 -50.12 3.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.809 HG23 HD11 ' A' ' 40' ' ' LEU . 9.8 mt -68.16 -33.36 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -76.89 -19.16 57.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 29.0 m-20 -88.86 -23.93 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.4 tp -94.68 -26.42 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 45' ' ' LEU . 12.4 mt -58.02 -59.29 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -59.34 -22.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -30.53 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.7 mt -94.2 -31.47 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.854 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 18.7 t80 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -74.14 127.36 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 mt -100.33 178.56 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.94 -35.13 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -123.15 175.08 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 1.8 t80 -109.96 111.68 58.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' B' ' 9' ' ' CYS . 53.9 Cg_endo -69.68 -40.96 4.82 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.485 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 79.9 m -36.85 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.55 -67.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -83.61 59.42 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.533 HG21 ' HB2' ' A' ' 64' ' ' ARG . 7.4 p -70.66 143.91 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' B' ' 14' ' ' TYR . 6.0 t30 -107.71 77.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' B' ' 13' ' ' ASN . 25.1 m-85 -36.21 134.27 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.748 0.228 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.62 -1.61 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -127.1 31.66 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -62.17 139.48 96.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.72 27.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 p -106.08 -22.78 12.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -117.12 138.53 51.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -135.58 105.53 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -68.39 105.13 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.68 168.79 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 m -133.42 105.95 7.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 128.65 38.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' VAL . 27.2 m -128.92 173.95 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.627 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -104.09 -174.6 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -41.98 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.63 -35.97 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.95 24.17 5.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 26' ' ' VAL . 13.5 m -83.73 164.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -98.09 109.33 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.7 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.2 155.56 26.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -87.45 158.29 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.38 165.06 35.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.2 t -121.44 120.88 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.439 ' CE ' HD21 ' A' ' 47' ' ' LEU . 18.9 ttm -98.76 137.26 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.647 ' O ' HD23 ' A' ' 45' ' ' LEU . 40.8 tt0 -117.96 130.61 56.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.749 HD11 HG23 ' A' ' 97' ' ' ILE . 6.5 mp -106.54 91.13 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -127.41 141.25 51.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 68.4 mm-40 -35.15 -45.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -47.59 -71.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -174.25 175.11 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 62' ' ' LEU . 8.7 mt -87.57 134.23 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.02 142.31 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.966 HD12 ' CH2' ' A' ' 57' ' ' TRP . 15.4 mt -122.36 125.63 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -104.87 100.09 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HB ' ' CH2' ' A' ' 57' ' ' TRP . 5.1 t -142.24 146.24 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -120.05 147.82 44.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.966 ' CH2' HD12 ' A' ' 47' ' ' LEU . 25.9 m-90 -135.73 112.09 10.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.79 117.82 5.31 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' HD1' HD12 ' A' ' 62' ' ' LEU . 17.0 m-85 -38.97 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' PRO . 4.8 mt -58.55 -50.73 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.7 p -63.82 -34.46 77.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.66 HD11 HD12 ' A' ' 45' ' ' LEU . 16.8 mt -59.78 108.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 ttt85 -111.3 -54.08 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HD2' ' CD2' ' B' ' 7' ' ' PHE . 4.0 ttp180 -105.82 105.63 15.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 35.0 p90 -135.57 115.39 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 -153.62 8.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -158.37 174.49 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -172.08 -175.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 104.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 6.5 t30 52.31 36.62 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.657 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.8 OUTLIER -145.84 133.45 20.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.657 ' N ' HD13 ' A' ' 71' ' ' LEU . 68.3 t80 -146.03 118.64 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -132.93 166.74 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -157.3 160.96 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -97.22 166.36 11.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 t -152.83 145.5 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -77.33 -151.75 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -28.46 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -63.38 -15.16 56.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.8 p -78.33 163.5 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -53.82 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.513 ' CG2' HG11 ' A' ' 55' ' ' VAL . 73.8 p -50.47 -53.42 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.0 175.21 26.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.7 mt-30 -41.23 149.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.41 141.31 4.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.436 HG22 HD12 ' B' ' 4' ' ' LEU . 77.2 mt -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.01 126.18 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.507 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -106.65 158.8 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -150.23 140.65 22.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -93.3 127.97 39.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 p -162.02 128.39 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -64.35 -11.15 29.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -111.32 31.08 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.4 -51.5 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.409 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 13.0 tt0 -53.88 -54.26 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.37 -53.13 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.749 HG23 HD11 ' A' ' 40' ' ' LEU . 10.6 mt -63.97 -35.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -23.55 59.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 83.1 m-20 -86.77 -22.87 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.5 tp -93.98 -30.92 14.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.644 HD21 HD11 ' A' ' 45' ' ' LEU . 10.6 mt -56.65 -60.43 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -54.66 -29.63 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -39.18 90.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.79 -26.45 44.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 10.5 mmm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 14.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.472 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 11.5 ptp180 -78.22 127.58 32.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 88' ' ' ALA . 31.4 mt -104.25 166.77 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -102.59 -41.26 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -128.3 168.98 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.462 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 2.2 t80 -89.61 117.52 68.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.651 0.738 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.35 8.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' B' ' 10' ' ' GLY . 2.9 t -117.37 160.58 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.49 ' N ' ' SG ' ' B' ' 9' ' ' CYS . . . -129.96 -24.75 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.86 53.26 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.92 150.25 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.2 t-20 -124.23 77.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -46.71 144.15 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.761 0.234 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.96 8.28 30.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.7 8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.476 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -44.99 139.26 3.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.331 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 p -95.55 -24.73 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -116.42 144.99 43.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -140.22 105.1 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -70.45 115.26 9.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -112.62 165.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 26' ' ' VAL . 58.5 m -134.8 99.18 4.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -53.2 130.75 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 24' ' ' THR . 33.4 m -130.33 173.88 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.691 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.4 p-10 -104.05 -178.13 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.93 -45.49 51.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.71 -41.11 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.06 3.28 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.691 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.5 m -66.15 164.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -100.22 117.09 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.8 mt -100.43 -64.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.72 124.28 3.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -84.15 140.17 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.09 170.88 28.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -117.07 123.79 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.525 ' CG ' HD22 ' A' ' 45' ' ' LEU . 37.2 tpp -95.87 131.51 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HG2' HG23 ' A' ' 41' ' ' THR . 20.3 tt0 -115.55 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.743 HD11 HG23 ' A' ' 97' ' ' ILE . 8.0 mp -98.87 95.33 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 39' ' ' GLU . 76.2 p -112.38 137.41 50.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.4 mp0 -37.74 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.5 t -69.38 -67.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -170.39 -179.04 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 101' ' ' LEU . 8.3 mt -88.28 130.17 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 56' ' ' ARG . 98.5 t -129.74 142.48 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' A' ' 54' ' ' ALA . 23.8 mt -105.16 160.78 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.546 ' C ' HD12 ' A' ' 49' ' ' LEU . 95.5 m-70 -131.92 103.02 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.571 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 7.6 t -128.34 151.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HG2' HG22 ' A' ' 46' ' ' VAL . 8.9 mtp85 -130.76 134.94 47.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.571 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 21.7 m-90 -127.12 112.95 21.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.74 121.13 7.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.638 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.0 m-85 -39.45 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' PRO . 4.0 mm? -67.64 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.3 m -49.28 -32.18 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 59' ' ' TYR . 10.8 mt -56.22 99.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -69.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.75 ' HB2' HG21 ' B' ' 12' ' ' VAL . 14.1 ptt180 -127.16 160.74 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 8.0 p90 -144.84 119.43 9.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.73 -174.19 20.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.35 174.81 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -173.43 173.89 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 p -51.19 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -125.33 35.91 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.734 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.7 OUTLIER -145.17 132.35 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.734 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.0 t80 -143.25 110.51 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -130.4 161.89 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -152.04 142.98 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -104.39 147.19 27.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -145.34 152.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.64 -166.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -100.51 -15.9 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' N ' ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -64.34 -12.95 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -80.17 171.45 15.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -58.75 -68.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.535 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 32.0 p -46.1 -39.64 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 169.34 43.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.413 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 14.5 pt20 -40.53 116.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.82 143.26 3.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.548 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.502 HG22 HD12 ' B' ' 4' ' ' LEU . 42.7 mt -94.97 152.29 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 20.1 m-85 -140.54 123.71 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.504 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -104.3 156.88 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 12.6 m-85 -150.7 135.22 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -84.45 129.0 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.42 116.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -60.27 -14.8 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.423 ' NE ' ' HG2' ' A' ' 96' ' ' GLU . 12.7 tpt180 -99.25 29.16 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -62.16 -67.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 8.8 tt0 -33.18 -62.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HG2' ' NE ' ' A' ' 93' ' ' ARG . 1.2 mp0 -38.38 -53.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.743 HG23 HD11 ' A' ' 40' ' ' LEU . 21.0 mt -61.67 -33.24 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -76.58 -18.59 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -92.27 -22.99 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 100' ' ' LEU . 1.8 tt -93.46 -32.48 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 45' ' ' LEU . 11.2 mt -57.64 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -49.22 -29.63 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.43 -33.6 74.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.4 mt -89.84 -32.38 16.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.4 mmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.9 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -87.21 115.15 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.502 HD12 HG22 ' A' ' 86' ' ' ILE . 12.9 mt -88.54 167.62 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -110.55 -42.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -127.2 150.0 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.428 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 1.9 t80 -72.86 117.25 58.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -42.3 3.55 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 85.3 m -83.6 98.66 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.41 -43.52 87.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.79 89.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.75 HG21 ' HB2' ' A' ' 64' ' ' ARG . 12.0 p -113.57 151.06 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.572 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 24.1 p-10 -126.8 94.71 4.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -47.2 137.68 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.797 0.249 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -121.17 13.74 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -125.58 0.26 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -43.79 133.45 3.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -18.94 36.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.8 p -113.02 -29.04 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -108.06 130.72 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CD1' HG12 ' A' ' 97' ' ' ILE . 40.6 m-85 -130.74 108.08 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.64 ' HG2' HG22 ' A' ' 37' ' ' VAL . 22.7 mttm -63.24 110.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -105.91 174.03 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 86.9 m -136.61 109.32 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.19 118.27 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.574 HG11 ' HD2' ' A' ' 90' ' ' LYS . 26.9 m -122.12 173.53 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.899 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.7 p-10 -108.26 -176.61 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -40.08 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.75 -34.27 76.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.56 8.22 23.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.899 HG22 ' OD1' ' A' ' 27' ' ' ASP . 10.6 m -69.62 164.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -101.8 113.28 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -94.21 -57.6 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.08 144.74 13.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -86.42 145.09 26.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.47 169.52 31.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.64 HG22 ' HG2' ' A' ' 22' ' ' LYS . 84.3 t -125.5 123.46 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.6 tpp -94.91 133.92 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -121.06 133.58 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 97' ' ' ILE . 7.8 mp -102.66 125.15 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -139.4 151.51 46.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -54.17 -14.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.95 -64.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.91 -178.46 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 101' ' ' LEU . 11.6 mt -88.7 141.78 28.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.74 149.66 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.584 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 12.5 mt -122.83 147.08 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.475 ' C ' HD12 ' A' ' 49' ' ' LEU . 97.2 m-70 -124.52 116.02 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD12 ' C ' ' A' ' 48' ' ' HIS . 6.8 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 t -105.4 146.68 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.26 161.02 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.584 ' CZ3' HD12 ' A' ' 47' ' ' LEU . 19.9 m-90 -146.52 113.81 4.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 131.01 20.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.535 ' HA ' HD12 ' A' ' 62' ' ' LEU . 24.2 m-85 -48.46 -27.84 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.32 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.7 p -53.61 -38.96 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 59' ' ' TYR . 35.6 mt -47.49 88.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.4 mmm-85 -53.8 -40.75 66.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -156.96 156.8 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.447 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 43.7 p90 -147.09 109.23 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.45 -158.56 11.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -167.23 170.51 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -172.71 163.26 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' LEU . 46.2 t -42.55 129.01 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 69' ' ' SER . 33.2 t30 32.87 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.3 tm? -153.27 126.47 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.434 ' N ' HD13 ' A' ' 71' ' ' LEU . 12.9 t80 -145.99 117.97 8.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.1 t -131.04 167.32 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -152.8 142.05 21.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -98.6 154.87 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -149.56 145.29 26.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.03 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 5.1 ppt_? -105.45 -17.04 14.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -67.6 -12.81 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' GLN . 7.5 p -78.31 145.81 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' CYS . 14.0 tt0 -34.53 -70.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 71.5 p -46.1 -56.75 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 119.61 -173.92 15.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -57.95 132.33 53.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.0 148.93 4.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.1 mt -100.93 149.88 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.371 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -136.79 135.57 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.1 148.65 42.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -141.42 137.23 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.574 ' HD2' HG11 ' A' ' 26' ' ' VAL . 73.3 mttt -84.46 147.33 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.0 178.56 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -111.63 -21.89 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -118.8 45.56 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.76 79.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.88 -53.56 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -44.2 -45.22 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.635 HG23 HD11 ' A' ' 40' ' ' LEU . 11.0 mt -71.7 -34.18 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -76.84 -20.81 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -90.01 -22.58 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 tt -90.95 -38.99 12.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.491 HD21 HD11 ' A' ' 45' ' ' LEU . 12.1 mt -50.66 -53.57 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -63.75 -13.88 47.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -83.16 -30.92 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.97 -32.83 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 81.6 mtp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.883 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 47.9 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -83.95 114.41 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.47 168.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -104.2 -34.4 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.28 173.01 12.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.5 t80 -83.03 119.5 74.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.722 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -5.09 15.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.473 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.5 t -111.08 158.92 18.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.14 -26.15 1.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -99.97 82.55 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 65' ' ' TYR . 13.9 p -105.74 151.38 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.7 t30 -120.54 86.45 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -39.05 151.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.846 0.269 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.14 -5.46 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -128.54 41.94 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 1.8 t-80 -75.57 134.95 72.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.75 -22.18 32.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.546 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 25.7 p -107.57 -27.72 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 1.6 mppt? -113.31 159.21 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.5 m-85 -157.03 105.02 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.6 ' HG3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.44 143.49 34.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.64 174.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.464 ' O ' HG13 ' A' ' 26' ' ' VAL . 60.0 m -150.35 116.7 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.42 107.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 24' ' ' THR . 16.2 m -112.19 163.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.726 ' OD1' HG22 ' A' ' 31' ' ' VAL . 22.2 p-10 -102.33 -176.45 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.54 ' OD1' HD23 ' B' ' 4' ' ' LEU . 3.4 m-20 -47.0 -49.42 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.65 -32.92 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 0.04 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.726 HG22 ' OD1' ' A' ' 27' ' ' ASP . 18.4 m -58.54 164.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG2' HG21 ' A' ' 24' ' ' THR . 25.9 mt-10 -95.5 103.53 15.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' B' ' 2' ' ' PHE . 24.0 mt -80.63 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.79 131.71 5.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 p -86.98 134.7 33.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.35 168.11 35.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.6 HG22 ' HG3' ' A' ' 22' ' ' LYS . 59.4 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.531 ' CG ' HD22 ' A' ' 45' ' ' LEU . 22.8 tpp -86.11 128.44 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.555 ' HG2' HG23 ' A' ' 41' ' ' THR . 43.5 tt0 -114.17 130.65 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.796 HD11 HG23 ' A' ' 97' ' ' ILE . 9.1 mp -99.72 88.47 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' HG2' ' A' ' 39' ' ' GLU . 18.3 p -108.01 135.18 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.2 mp0 -36.04 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 41' ' ' THR . 18.7 m -66.97 -65.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -172.82 -177.68 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.548 HD11 HD21 ' A' ' 101' ' ' LEU . 11.3 mt -88.85 116.1 26.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.753 HG22 ' HG2' ' A' ' 56' ' ' ARG . 88.6 t -118.25 137.78 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.91 147.06 26.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.94 116.8 26.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.482 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 11.0 t -93.49 143.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.753 ' HG2' HG22 ' A' ' 46' ' ' VAL . 56.4 mtt180 -126.69 149.51 49.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.482 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.6 m-90 -138.26 112.55 8.69 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 125.11 11.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.98 -21.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.96 -48.1 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.73 -33.83 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 62' ' ' LEU . 10.7 mt -57.29 90.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -80.66 -53.87 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.84 ' HG3' HG21 ' B' ' 12' ' ' VAL . 59.5 ttp180 -120.45 127.6 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.608 ' O ' HG23 ' B' ' 12' ' ' VAL . 18.1 p90 -139.48 117.32 11.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.01 -164.63 17.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -165.76 149.07 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -141.71 169.24 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -43.56 -65.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -125.07 37.35 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -151.8 120.73 6.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.505 ' N ' HD13 ' A' ' 71' ' ' LEU . 13.1 t80 -131.21 106.01 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.1 t -119.18 160.18 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.49 139.56 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.97 157.09 16.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 m -152.67 152.15 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.39 -150.44 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.69 -31.73 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -48.52 -26.23 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.0 p -67.67 166.58 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -58.76 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.449 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 29.8 p -49.82 -46.36 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.41 -179.76 22.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.64 158.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.16 149.83 9.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -90.71 145.54 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -126.86 118.33 24.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -99.34 157.12 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -153.05 135.89 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -86.12 119.45 26.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.0 t -138.5 167.71 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -100.54 -47.07 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -98.02 53.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -55.2 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 98' ' ' PHE . 12.1 tt0 -35.12 -61.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 95' ' ' GLU . 6.0 mm-40 -37.39 -57.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.796 HG23 HD11 ' A' ' 40' ' ' LEU . 16.4 mt -58.5 -32.08 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.24 -32.36 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -83.44 -26.28 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 100' ' ' LEU . 2.2 tt -85.78 -36.65 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.548 HD21 HD11 ' A' ' 45' ' ' LEU . 11.2 mt -47.45 -68.53 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -39.65 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.32 -37.16 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.472 HD11 HD22 ' A' ' 100' ' ' LEU . 34.0 mt -85.64 -33.97 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.6 mtp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' B' ' 3' ' ' ARG . 56.5 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.658 ' N ' ' HE ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.35 119.85 39.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 88' ' ' ALA . 11.6 mt -91.53 167.77 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -104.35 -42.46 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -137.62 157.92 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -76.09 116.85 59.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -63.82 155.81 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.32 -67.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.48 98.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.382 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.84 HG21 ' HG3' ' A' ' 64' ' ' ARG . 2.6 p -120.75 133.01 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.523 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 5.8 t30 -110.8 80.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' B' ' 13' ' ' ASN . 33.4 m-85 -35.78 144.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.748 0.228 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.85 1.68 14.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -132.09 35.21 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -67.25 139.45 94.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.8 -28.7 24.72 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.0 p -98.12 -33.33 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 151.41 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -145.62 105.87 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -67.36 119.9 12.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.77 166.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -131.36 117.33 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.5 106.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 32' ' ' GLU . 33.3 m -120.44 164.48 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.52 -174.02 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.649 ' HA ' HD21 ' B' ' 4' ' ' LEU . 18.2 t70 -52.48 -48.8 65.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.65 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.25 1.83 4.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 26' ' ' VAL . 2.8 t -54.09 154.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.483 ' HA ' HG12 ' A' ' 26' ' ' VAL . 48.0 mt-10 -103.72 107.15 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.31 -63.96 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.16 171.44 23.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -106.72 151.56 24.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.22 163.6 35.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.07 121.32 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.524 ' CG ' HD22 ' A' ' 45' ' ' LEU . 34.1 tpp -92.0 130.26 37.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' HG2' HG23 ' A' ' 41' ' ' THR . 51.6 tt0 -112.26 131.48 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.699 HD11 HG23 ' A' ' 97' ' ' ILE . 8.2 mp -99.43 92.86 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 39' ' ' GLU . 77.7 p -113.2 134.86 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' THR . 15.6 mm-40 -34.77 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' THR . 16.7 t -62.97 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -171.8 179.1 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.02 HD11 HD21 ' A' ' 101' ' ' LEU . 12.8 mt -87.6 130.76 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -134.3 142.36 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.3 mt -104.04 165.81 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -133.54 109.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.429 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 41.4 t -101.69 134.04 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -123.35 170.06 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.518 ' CZ2' HG21 ' A' ' 82' ' ' THR . 7.3 m-90 -155.53 112.64 2.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.609 0.718 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.76 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' PRO . 24.3 m-85 -34.81 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 58' ' ' PRO . 2.0 tt -54.59 -61.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 p -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 84.1 mt -59.51 80.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 70.8 mtt180 -82.45 -54.8 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.985 ' HG3' HG21 ' B' ' 12' ' ' VAL . 48.3 ttp180 -104.98 118.11 35.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.573 ' O ' HG23 ' B' ' 12' ' ' VAL . 24.3 p90 -138.41 118.27 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.65 -160.24 14.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -164.32 175.09 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -169.27 169.07 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -40.5 -63.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -132.16 43.43 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.1 tm? -150.44 125.52 9.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.6 ' N ' HD13 ' A' ' 71' ' ' LEU . 21.3 t80 -134.84 115.3 13.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.0 t -129.26 167.07 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -156.31 154.23 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.633 ' OE2' HD11 ' A' ' 86' ' ' ILE . 4.1 mm-40 -97.12 162.41 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 98.7 p -152.89 135.82 15.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.33 -127.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -128.4 -47.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -49.59 -23.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.8 p -63.41 174.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.826 ' OE1' HG23 ' A' ' 82' ' ' THR . 4.6 tm0? -68.34 -62.05 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.826 HG23 ' OE1' ' A' ' 81' ' ' GLN . 6.8 p -56.85 -36.08 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 77.37 171.03 35.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' GLY . 38.6 mt-30 -33.74 133.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.22 133.61 3.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.633 HD11 ' OE2' ' A' ' 75' ' ' GLU . 70.7 mt -91.03 145.99 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.87 122.74 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.34 145.22 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 89' ' ' PHE . 1.9 m-85 -137.68 146.63 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -90.71 115.24 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.1 t -130.96 151.37 51.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -80.58 -35.34 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -110.82 46.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.19 -55.01 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 10.1 tt0 -47.9 -57.78 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.26 -55.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.699 HG23 HD11 ' A' ' 40' ' ' LEU . 13.4 mt -59.87 -32.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -75.5 -25.6 57.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -88.91 -24.61 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 100' ' ' LEU . 2.4 tt -91.34 -30.72 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.02 HD21 HD11 ' A' ' 45' ' ' LEU . 10.9 mt -55.24 -64.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -49.91 -33.68 18.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.57 -37.06 77.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.9 mt -88.88 -41.4 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 61.3 mtp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.816 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 31.0 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -94.43 116.85 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.649 HD21 ' HA ' ' A' ' 28' ' ' ASP . 14.2 mt -84.42 171.6 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -113.3 -43.01 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -123.89 148.9 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.8 114.99 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.76 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -62.08 146.44 50.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.43 0.53 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.09 92.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.985 HG21 ' HG3' ' A' ' 64' ' ' ARG . 6.2 p -114.47 140.38 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.464 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 4.0 t30 -121.49 84.16 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' B' ' 13' ' ' ASN . 42.7 m-85 -36.33 145.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.788 0.245 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.23 1.98 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -131.17 34.82 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.529 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 1.8 t-80 -68.77 136.56 90.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.557 0.694 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -31.6 20.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.454 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 41.4 p -100.28 -21.05 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -116.33 135.93 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -139.73 107.39 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -69.19 123.29 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.92 -175.39 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 26' ' ' VAL . 97.9 m -151.98 106.03 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -51.45 128.64 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 24' ' ' THR . 34.5 m -133.59 167.03 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.708 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -104.64 -179.39 3.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.35 -52.76 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB2' HG13 ' A' ' 31' ' ' VAL . 7.5 mt-10 -59.21 -25.78 64.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.48 -0.92 46.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.708 HG22 ' OD1' ' A' ' 27' ' ' ASP . 5.7 m -55.5 163.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -104.92 108.8 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.29 -61.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.72 127.59 4.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -84.06 142.29 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.62 170.83 31.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.42 124.13 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.0 ttm -98.05 121.52 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.626 ' HG2' HG23 ' A' ' 41' ' ' THR . 62.6 tt0 -110.21 130.63 55.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.501 HD11 HG23 ' A' ' 97' ' ' ILE . 8.1 mp -97.53 91.2 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.626 HG23 ' HG2' ' A' ' 39' ' ' GLU . 36.7 p -108.74 135.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -38.19 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.8 m -66.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -172.08 179.56 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD12 HD11 ' A' ' 62' ' ' LEU . 10.2 mt -87.9 127.89 35.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.8 t -125.59 148.04 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 47' ' ' LEU . 12.2 mt -115.28 152.58 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.26 109.57 12.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.593 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 4.7 t -117.72 157.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -136.6 157.58 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.593 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 11.8 m-90 -152.73 113.98 2.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 125.63 12.41 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.799 ' HA ' HD12 ' A' ' 62' ' ' LEU . 17.3 m-85 -42.6 -28.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.49 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m -48.3 -43.97 33.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 59' ' ' TYR . 45.1 mt -40.71 94.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' CYS . 47.1 mtt180 -53.98 -49.47 68.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.497 ' HD3' HG21 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -152.31 164.8 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.604 ' O ' HG23 ' B' ' 12' ' ' VAL . 46.3 p90 -141.87 123.47 15.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.8 -164.51 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 4.4 p90 -162.38 170.26 19.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.89 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' SER . 25.0 m-20 -163.97 165.51 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' ASP . 26.1 t -37.75 -65.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -131.46 37.08 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.5 tm? -145.08 140.0 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.662 ' N ' HD13 ' A' ' 71' ' ' LEU . 37.2 t80 -145.64 119.35 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.6 t -132.55 155.1 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -144.95 144.31 30.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -100.29 143.66 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -130.08 153.63 48.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.85 -138.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -124.85 -41.5 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 3.2 ptp180 -58.06 -15.81 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.13 155.15 11.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 82' ' ' THR . 9.3 tt0 -45.46 -67.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.463 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 19.1 p -58.3 -43.54 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.89 -178.47 27.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.5 139.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.87 134.8 2.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.522 HG22 HD12 ' B' ' 4' ' ' LEU . 48.8 mt -93.97 134.98 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.52 122.13 37.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.19 155.06 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -145.71 154.39 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HG3' HG11 ' A' ' 26' ' ' VAL . 41.2 mttm -102.47 132.44 48.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 43.5 t -161.14 161.95 31.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 t -92.14 -40.39 11.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -92.5 35.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.593 ' HA ' HD12 ' A' ' 97' ' ' ILE . . . -58.64 -32.94 69.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.432 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 39.4 tt0 -66.14 -59.74 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -48.05 -22.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 94' ' ' ALA . 80.0 mt -78.94 -33.92 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -74.74 -43.78 53.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.585 ' OD1' ' CZ ' ' A' ' 98' ' ' PHE . 61.8 m-20 -66.66 -37.42 84.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.3 tp -73.99 -34.8 64.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.514 HD21 HD11 ' A' ' 45' ' ' LEU . 10.7 mt -54.32 -49.6 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.21 -18.74 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.35 -29.62 34.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.19 -39.7 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.7 mtp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.839 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 13.0 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.876 0.37 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -82.15 129.99 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.522 HD12 HG22 ' A' ' 86' ' ' ILE . 13.4 mt -94.05 -179.32 4.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.49 -27.2 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -143.16 164.09 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.9 t80 -89.87 117.51 68.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.466 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 63.6 m -50.85 139.09 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.7 -52.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -80.87 98.98 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 65' ' ' TYR . 7.6 p -120.72 137.89 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.554 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 9.0 p-10 -116.21 83.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 47.1 m-85 -34.35 149.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.794 0.248 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.65 2.55 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 4.8 t30 -111.34 -3.13 15.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -42.12 132.01 2.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' O ' ' CZ ' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.78 -33.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 p -94.33 -21.29 19.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.38 135.57 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 18' ' ' PRO . 65.2 m-85 -136.02 118.82 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -83.55 113.37 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.88 -175.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.623 ' O ' HG13 ' A' ' 26' ' ' VAL . 96.3 m -159.18 109.81 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.98 112.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.693 HG11 ' HG3' ' A' ' 90' ' ' LYS . 31.9 m -117.09 178.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.606 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.1 p-10 -115.31 -175.76 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.21 -48.85 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.55 -38.86 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.7 16.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.606 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.6 m -62.89 164.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' OE2' HG21 ' A' ' 24' ' ' THR . 28.0 mt-10 -100.43 105.47 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.79 -60.13 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.23 129.32 4.52 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -84.15 142.04 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.94 169.61 34.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -120.65 121.1 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.4 tpp -91.52 131.8 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -118.23 130.66 56.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.764 HD11 HG23 ' A' ' 97' ' ' ILE . 6.3 mp -100.69 97.22 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' GLN . 50.7 p -113.06 137.92 50.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.9 mp0 -34.67 -37.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' THR . 32.7 m -62.18 -67.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -171.64 -175.34 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD11 HD21 ' A' ' 101' ' ' LEU . 15.4 mt -88.18 133.8 33.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.1 138.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 mt -100.79 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -130.25 108.37 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.587 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 21.4 t -108.17 151.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -139.68 160.86 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 10.7 m-90 -151.83 114.39 2.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.74 123.59 10.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 62' ' ' LEU . 20.7 m-85 -39.43 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 mt -66.3 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.2 m -44.38 -39.19 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 59' ' ' TYR . 62.3 mt -50.29 112.75 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -95.77 -32.62 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.69 130.69 15.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 65' ' ' TYR . 53.4 p90 -143.74 108.67 4.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.43 -162.69 11.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 12.8 p90 -147.99 172.71 13.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -170.0 -175.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -63.24 109.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 44.85 32.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -138.94 126.94 22.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.432 ' N ' HD13 ' A' ' 71' ' ' LEU . 44.6 t80 -136.16 114.41 11.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -133.66 157.77 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -149.71 138.65 21.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.55 159.42 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.8 m -154.49 153.48 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.29 -153.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -15.82 12.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.67 -13.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.77 178.56 4.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -66.42 -70.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.583 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 52.7 p -50.84 -33.0 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 -171.4 30.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -60.93 155.88 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.56 148.91 7.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.9 mt -98.31 126.62 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HE2' ' HG1' ' A' ' 82' ' ' THR . 7.5 m-85 -110.85 123.34 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.502 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.99 154.06 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.4 m-85 -148.5 146.97 28.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.693 ' HG3' HG11 ' A' ' 26' ' ' VAL . 70.2 mttt -89.25 116.35 27.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.9 t -126.99 166.05 18.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.3 m -93.79 -36.2 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 49.1 mtp180 -112.44 47.81 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -44.84 -54.58 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 98' ' ' PHE . 24.5 tt0 -51.89 -57.02 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.476 ' CG ' ' HB3' ' A' ' 93' ' ' ARG . 26.6 mm-40 -38.36 -55.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.764 HG23 HD11 ' A' ' 40' ' ' LEU . 21.2 mt -59.33 -33.79 52.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -77.89 -21.28 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -91.55 -28.08 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.95 -35.4 20.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 45' ' ' LEU . 11.1 mt -47.34 -64.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -53.52 -33.1 53.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.56 -26.02 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.1 mt -89.68 -34.02 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mtt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.52 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 37.1 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.52 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 2.0 mpp_? -105.89 136.33 45.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 29.1 mt -105.76 166.89 10.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -103.06 -40.16 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -131.19 127.96 39.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.0 t80 -51.85 120.17 15.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.662 0.744 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.24 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.468 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 75.8 m -67.91 127.58 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.67 -77.42 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -60.05 113.66 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 65' ' ' TYR . 13.6 p -133.63 152.77 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.9 t30 -131.19 80.05 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 13' ' ' ASN . 30.4 m-85 -37.59 144.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.768 0.236 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.17 -0.79 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -133.43 38.52 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.574 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.3 t-80 -71.09 142.68 87.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.8 -45.59 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.2 p -85.94 -27.17 25.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HE2' ' ND1' ' A' ' 17' ' ' HIS . 1.6 mppt? -109.24 141.17 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 18' ' ' PRO . 97.0 m-85 -139.51 106.2 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -68.76 110.08 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -113.71 165.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.6 m -133.9 103.13 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -53.78 126.47 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 31' ' ' VAL . 23.9 m -125.7 -179.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.748 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.6 p-10 -108.7 -176.6 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.55 ' HA ' HD21 ' B' ' 4' ' ' LEU . 0.7 OUTLIER -53.9 -40.31 66.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.94 -35.52 80.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.84 17.04 8.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.748 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.4 m -78.27 164.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -99.77 108.83 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.0 mt -90.61 -56.45 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.77 143.4 10.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -84.27 142.97 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -145.08 162.63 28.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -112.18 122.07 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.7 tpp -99.8 132.48 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.587 ' HG2' HG23 ' A' ' 41' ' ' THR . 28.6 tt0 -123.48 130.99 53.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.665 HD22 HD23 ' A' ' 100' ' ' LEU . 8.2 mp -101.05 93.02 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.587 HG23 ' HG2' ' A' ' 39' ' ' GLU . 60.6 p -108.5 135.16 50.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -40.4 -26.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' THR . 71.4 m -72.11 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -174.11 -179.22 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.665 HD11 HD21 ' A' ' 101' ' ' LEU . 12.8 mt -91.48 132.7 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -124.34 145.62 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.5 HD12 ' CH2' ' A' ' 57' ' ' TRP . 9.2 mt -123.22 140.67 52.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.515 ' C ' HD13 ' A' ' 49' ' ' LEU . 85.5 m-70 -130.26 119.22 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.909 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.462 ' CG1' ' CG2' ' A' ' 82' ' ' THR . 45.1 t -83.85 132.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -110.85 139.56 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.5 ' CH2' HD12 ' A' ' 47' ' ' LEU . 6.6 m-90 -123.94 111.86 28.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.13 3.27 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -43.12 -25.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.14 -65.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 63' ' ' ARG . 78.8 m -48.74 -43.99 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' CYS . 13.8 mt -35.85 93.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' CYS . 41.2 mmm-85 -67.41 -48.72 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HB2' HG21 ' B' ' 12' ' ' VAL . 7.5 ptt-85 -144.29 143.12 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.482 ' C ' HG23 ' B' ' 12' ' ' VAL . 28.7 p90 -139.27 112.71 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.13 -164.71 20.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.556 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 1.2 p90 -163.38 173.25 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.14 164.15 17.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -41.94 -58.87 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.26 39.95 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -153.31 127.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -141.22 112.73 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.407 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . 26.2 t -131.13 163.85 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -148.32 137.66 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 15.9 tt0 -97.32 143.88 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -132.27 153.11 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.02 -143.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -113.09 -49.03 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -53.23 -16.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.39 143.41 49.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 82' ' ' THR . 4.0 tm0? -41.25 -47.04 3.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.491 HG23 ' OE1' ' A' ' 81' ' ' GLN . 64.9 p -69.86 -51.83 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 171.71 21.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -47.5 132.8 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.91 134.96 2.98 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 92.1 mt -91.94 138.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -125.98 125.33 42.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -112.95 167.23 10.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 9.1 m-85 -159.09 140.31 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -90.03 124.51 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.74 -176.55 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -117.06 -22.49 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -114.07 42.51 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -39.35 -55.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.46 -49.0 7.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.656 HG23 HD11 ' A' ' 40' ' ' LEU . 15.9 mt -66.93 -32.71 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -28.77 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -82.59 -27.76 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.665 HD23 HD22 ' A' ' 40' ' ' LEU . 62.7 tp -87.87 -41.92 12.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.665 HD21 HD11 ' A' ' 45' ' ' LEU . 12.0 mt -45.72 -62.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -54.23 -27.18 32.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.19 -34.15 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.6 -31.63 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.0 mtp . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.816 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.6 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.23 107.29 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 28' ' ' ASP . 16.2 mt -79.82 -178.08 6.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -125.66 -37.23 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -131.7 139.18 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.12 112.97 10.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -48.27 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 98.2 m -66.66 96.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.89 -60.61 8.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -60.48 113.5 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 64' ' ' ARG . 13.8 p -136.24 145.13 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 5.4 p-10 -121.84 83.51 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -44.51 125.03 4.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.77 0.237 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.0 -0.94 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -129.02 27.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.11 140.19 87.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.79 -31.08 21.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -100.79 -20.38 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -119.28 145.53 46.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -147.65 108.27 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 146.42 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.526 ' O ' HG13 ' A' ' 26' ' ' VAL . 85.9 m -125.96 105.29 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' OD1' HD12 ' A' ' 33' ' ' LEU . 2.1 t-20 -52.62 118.25 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 31' ' ' VAL . 35.0 m -116.73 171.96 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.749 ' OD1' HG22 ' A' ' 31' ' ' VAL . 12.2 p-10 -107.7 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -46.25 -36.09 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.72 -35.27 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 90' ' ' LYS . . . 110.47 7.91 25.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.749 HG22 ' OD1' ' A' ' 27' ' ' ASP . 11.6 m -71.15 170.05 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.182 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -105.08 111.42 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD12 ' OD1' ' A' ' 25' ' ' ASN . 3.7 mt -89.44 -61.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.98 163.19 25.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -104.08 152.99 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.06 170.45 37.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.7 128.13 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.432 ' HE1' ' HE2' ' A' ' 74' ' ' PHE . 33.4 ttm -104.41 137.45 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.557 ' HG2' HG23 ' A' ' 41' ' ' THR . 55.5 tt0 -124.74 132.86 53.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.779 HD11 HG23 ' A' ' 97' ' ' ILE . 7.9 mp -101.08 88.1 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.557 HG23 ' HG2' ' A' ' 39' ' ' GLU . 66.7 p -102.08 138.2 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -39.06 -26.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 m -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -167.42 -178.2 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD12 HD11 ' A' ' 62' ' ' LEU . 14.9 mt -88.42 132.76 34.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.6 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 13.1 mt -112.75 161.99 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -133.26 126.65 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.759 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 8.1 t -96.87 147.21 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 139.55 45.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.759 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.2 m-90 -133.2 115.14 13.89 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.72 10.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -43.14 -35.17 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.77 -55.56 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -63.57 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.646 HD11 HD12 ' A' ' 45' ' ' LEU . 18.1 mt -67.13 89.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -91.52 -56.41 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.822 ' HG3' HG21 ' B' ' 12' ' ' VAL . 33.0 ttm180 -97.37 125.78 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 42.7 p90 -151.87 120.0 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.18 -153.99 8.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.629 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 3.7 p90 -167.21 166.74 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -166.39 169.38 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -45.45 110.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' SER . 1.9 p-10 46.17 37.15 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.2 tm? -144.21 134.91 24.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.573 ' N ' HD13 ' A' ' 71' ' ' LEU . 55.3 t80 -144.59 121.86 11.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.0 t -133.58 155.44 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.432 ' HE2' ' HE1' ' A' ' 38' ' ' MET . 9.2 p90 -147.48 144.85 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -108.18 148.31 30.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.7 p -143.84 151.76 40.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.09 -157.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -104.88 -8.68 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -75.88 -23.74 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -60.59 146.54 44.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -40.22 -60.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -54.28 -47.76 72.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 104.42 171.18 24.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.77 134.92 3.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.36 144.83 4.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.4 mt -96.71 149.03 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -136.04 123.8 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.573 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.15 155.5 20.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.7 m-85 -145.32 151.8 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 30' ' ' GLY . 30.7 mttp -98.08 123.1 41.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.3 t -164.02 110.0 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 t -52.29 -19.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -97.29 32.46 2.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -64.06 -66.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.6 tt0 -33.72 -58.85 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.33 -52.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.779 HG23 HD11 ' A' ' 40' ' ' LEU . 8.1 mt -65.73 -35.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -71.74 -25.69 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -89.16 -27.06 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 tp -87.2 -26.55 23.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.442 HD21 HD11 ' A' ' 45' ' ' LEU . 12.5 mt -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -55.46 -18.65 7.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -38.31 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.8 mt -79.04 -40.71 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.84 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.4 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm85 -90.12 122.42 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 4' ' ' LEU . 13.3 mt -96.17 172.46 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -115.34 -29.16 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -137.25 164.07 29.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.7 t80 -91.15 118.44 68.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 74.3 m -52.75 117.16 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.22 -60.9 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -80.13 95.42 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.822 HG21 ' HG3' ' A' ' 64' ' ' ARG . 3.0 p -108.77 141.82 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.476 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -116.64 83.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.93 142.48 9.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.786 0.244 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -95.01 7.81 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -129.47 14.88 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.5 t-80 -53.37 139.45 47.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.81 -27.52 26.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -111.39 -13.52 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -122.24 147.97 45.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -150.76 107.58 3.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -65.38 122.72 17.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -116.01 163.09 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' VAL . 93.3 m -128.64 114.05 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.492 HD21 ' HE2' ' A' ' 89' ' ' PHE . 2.5 t-20 -56.54 125.93 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG11 ' HG3' ' A' ' 90' ' ' LYS . 26.8 m -136.22 160.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' B' ' 2' ' ' PHE . 0.6 OUTLIER -102.27 -176.85 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -48.5 -45.19 36.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -61.71 -27.2 68.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 3.45 54.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 26' ' ' VAL . 34.3 m -62.82 169.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.6 107.27 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -85.43 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.4 149.43 21.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.9 p -84.36 152.18 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.29 161.96 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -120.5 122.14 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' ' 45' ' ' LEU . 52.4 tpp -92.25 132.07 36.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' ' 45' ' ' LEU . 11.9 tt0 -117.58 132.6 56.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 97' ' ' ILE . 7.8 mp -105.74 108.99 20.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' SER . 80.5 p -127.4 138.12 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' HG3' HD22 ' A' ' 104' ' ' LEU . 43.7 mt-30 -38.67 -26.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.1 m -73.83 -70.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.03 178.69 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 101' ' ' LEU . 11.6 mt -89.13 138.78 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.1 129.18 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.797 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.3 mt -101.19 140.94 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.06 106.59 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.406 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 3.5 t -96.89 151.79 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -132.57 139.54 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.797 ' CH2' HD12 ' A' ' 47' ' ' LEU . 22.9 m-90 -129.84 113.31 17.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.93 43.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.872 ' HA ' HD12 ' A' ' 62' ' ' LEU . 27.3 m-85 -64.14 -13.77 50.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mt -71.64 -66.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 62' ' ' LEU . 4.3 p -55.31 -42.12 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.872 HD12 ' HA ' ' A' ' 59' ' ' TYR . 12.1 mt -35.68 98.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -57.33 -43.28 83.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -165.03 170.53 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.516 ' CE1' ' SD ' ' A' ' 105' ' ' MET . 18.8 p90 -147.99 108.75 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.77 -164.33 21.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.433 ' N ' ' SG ' ' B' ' 9' ' ' CYS . 3.1 p90 -167.45 143.83 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 110.948 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' B' ' 9' ' ' CYS . 6.2 m-20 -141.03 168.43 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.3 t -46.91 129.08 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' SER . 30.2 t30 33.18 35.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.4 tm? -150.02 141.0 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.616 ' N ' HD13 ' A' ' 71' ' ' LEU . 60.8 t80 -145.74 129.76 17.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 t -147.48 165.87 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.95 149.2 27.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -151.67 151.71 31.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.2 -160.72 29.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -101.82 13.78 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -95.74 -13.49 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.56 168.3 18.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.7 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 p -43.03 -59.07 2.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.12 167.53 12.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -41.35 150.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.73 157.36 9.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 87' ' ' PHE . 17.0 mt -98.8 151.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.404 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 37.1 m-85 -128.39 115.88 18.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HB3' HD11 ' B' ' 4' ' ' LEU . . . -113.18 142.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.492 ' HE2' HD21 ' A' ' 25' ' ' ASN . 9.7 m-85 -138.23 149.47 45.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.521 ' HG3' HG11 ' A' ' 26' ' ' VAL . 32.4 mttm -85.98 122.32 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.86 177.26 8.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -117.64 -22.29 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -109.45 48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 -68.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' PHE . 5.3 tt0 -42.71 -55.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.92 -50.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.489 HG23 HD11 ' A' ' 40' ' ' LEU . 11.9 mt -68.99 -32.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -74.85 -21.6 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -92.05 -35.42 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.497 HD23 ' HG ' ' A' ' 104' ' ' LEU . 2.0 tt -77.62 -36.99 51.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.638 HD21 HD11 ' A' ' 45' ' ' LEU . 10.6 mt -52.6 -50.95 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -65.51 -24.46 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.83 -29.36 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' HD23 ' A' ' 100' ' ' LEU . 66.6 mt -88.11 -45.37 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 65' ' ' TYR . 27.0 mtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 60.0 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 115.53 30.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 88' ' ' ALA . 12.7 mt -95.17 162.99 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -118.84 -13.25 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -131.96 168.74 17.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -116.31 110.0 43.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.11 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 20.4 m -40.05 153.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.21 -68.42 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.15 87.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.94 144.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.49 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 27.4 p-10 -135.81 143.99 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -88.67 173.57 8.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.537 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.756 0.231 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.49 -2.19 31.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' HB3' ' NH2' ' A' ' 93' ' ' ARG . 11.6 p30 -130.76 35.22 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.551 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.94 139.92 96.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.823 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.1 Cg_endo -69.78 -30.7 21.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.8 p -101.07 -25.16 14.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 2.0 mptp? -113.26 153.64 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.7 m-85 -149.96 107.39 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HG2' HG22 ' A' ' 37' ' ' VAL . 17.8 mttm -69.88 117.07 10.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.38 174.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 26' ' ' VAL . 97.3 m -141.25 105.45 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 121.07 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 24' ' ' THR . 34.2 m -122.28 178.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.747 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -110.49 -177.27 3.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -53.0 -39.13 62.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -39.56 81.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.35 5.23 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.747 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.1 m -67.2 165.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.132 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.38 114.08 27.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.64 -59.52 1.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.05 145.11 15.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.4 p -90.61 147.53 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.86 167.41 37.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' HG2' ' A' ' 22' ' ' LYS . 26.9 t -121.61 123.61 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.9 ttm -93.51 123.61 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.604 ' HG2' HG23 ' A' ' 41' ' ' THR . 81.9 tt0 -109.31 131.79 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 HG23 ' A' ' 97' ' ' ILE . 10.7 mp -100.55 89.77 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' ' 39' ' ' GLU . 22.5 p -108.36 135.99 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -38.5 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' THR . 67.7 m -68.51 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.445 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 10.1 pt-20 -174.46 179.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.582 HD11 HD21 ' A' ' 101' ' ' LEU . 12.4 mt -89.13 115.16 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.661 HG22 ' HG2' ' A' ' 56' ' ' ARG . 81.7 t -115.68 142.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.5 mt -105.0 155.86 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -132.01 114.16 14.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.35 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.606 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 41.4 t -108.15 141.18 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.661 ' HG2' HG22 ' A' ' 46' ' ' VAL . 24.0 mtp85 -121.51 161.2 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.606 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 5.7 m-90 -152.7 113.48 2.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 121.27 7.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 44' ' ' GLU . 47.7 m-85 -47.6 -26.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.37 -45.95 88.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 5.2 p -70.84 -37.05 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD12 ' HD1' ' A' ' 59' ' ' TYR . 12.5 mt -45.14 92.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 74.5 ttt180 -53.71 -55.84 22.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.7 166.43 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 65' ' ' TYR . 1.3 p90 -149.0 133.76 17.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.04 -168.85 12.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -160.74 151.9 18.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.19 168.7 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 t -48.54 -54.75 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -132.98 35.98 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.8 OUTLIER -148.85 131.07 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.548 ' N ' HD13 ' A' ' 71' ' ' LEU . 14.6 t80 -140.21 116.29 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -134.19 168.86 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.48 145.27 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -98.09 154.05 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 81.3 p -153.6 152.66 31.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.76 -152.03 1.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -24.73 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -55.06 -18.85 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 p -72.97 150.05 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 82' ' ' THR . 12.2 tt0 -42.72 -66.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.454 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 53.4 p -47.45 -57.09 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.55 172.24 15.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -48.04 134.29 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 145.7 144.99 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -95.27 150.99 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -140.14 124.78 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -99.87 156.69 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -148.5 130.98 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -82.51 119.27 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 9.3 t -133.65 156.74 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 t -86.81 -31.35 20.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 2.7 ptp180 -118.01 52.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.38 -57.57 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.407 ' HG2' HD22 ' A' ' 99' ' ' ASN . 22.0 tt0 -42.65 -53.99 4.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -41.36 -54.07 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.505 HG23 HD11 ' A' ' 40' ' ' LEU . 10.3 mt -60.54 -33.96 56.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -74.52 -19.84 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.407 HD22 ' HG2' ' A' ' 95' ' ' GLU . 2.4 m-20 -85.69 -30.39 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 100' ' ' LEU . 2.5 tt -90.83 -34.44 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 45' ' ' LEU . 12.1 mt -53.76 -56.79 14.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -53.16 -33.05 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.58 -25.82 62.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.425 HD11 HD22 ' A' ' 100' ' ' LEU . 86.1 mt -87.73 -44.34 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 29.7 mmm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.856 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 38.4 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 134.45 40.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 88' ' ' ALA . 16.2 mt -103.48 163.08 12.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -93.56 -43.99 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -134.05 175.37 9.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.09 119.48 69.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -50.58 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -56.01 141.28 40.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.414 ' O ' HG13 ' B' ' 12' ' ' VAL . . . -100.73 -62.72 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -72.8 83.48 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.414 HG13 ' O ' ' B' ' 10' ' ' GLY . 1.5 m -96.15 162.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.443 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 48.7 t-20 -122.35 90.61 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -51.48 116.28 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.791 0.246 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.16 17.98 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -127.87 8.53 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t-80 -48.95 133.31 14.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.6 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -84.36 -38.99 19.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' HIS . 1.7 mppt? -97.85 155.72 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 98.1 m-85 -153.58 105.65 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -61.07 122.39 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.09 -179.24 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 26' ' ' VAL . 89.6 m -150.85 106.99 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -59.82 126.75 28.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.701 HG11 ' HD2' ' A' ' 90' ' ' LYS . 19.7 m -129.36 168.68 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.588 ' OD1' HG23 ' A' ' 31' ' ' VAL . 1.9 p-10 -97.51 -174.1 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -54.36 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.36 6.77 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.588 HG23 ' OD1' ' A' ' 27' ' ' ASP . 1.5 t -66.5 151.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.72 113.28 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 12.1 mt -88.45 -64.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.42 149.31 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.8 p -97.31 143.16 28.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.27 170.65 36.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.8 t -125.16 124.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.596 ' CG ' HD22 ' A' ' 45' ' ' LEU . 28.7 tpp -91.58 129.91 37.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.518 ' HG2' HG23 ' A' ' 41' ' ' THR . 54.2 tt0 -114.29 132.3 56.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 97' ' ' ILE . 9.8 mp -97.29 90.73 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 39' ' ' GLU . 21.8 p -110.77 135.99 50.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -38.26 -27.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' THR . 17.6 p -70.1 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -174.55 -178.72 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 ' CG ' ' A' ' 38' ' ' MET . 12.9 mt -89.87 108.77 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.94 146.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -109.17 150.7 27.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -121.96 130.13 53.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.796 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 37.5 t -126.31 154.36 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.8 mpt_? -139.99 161.72 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.796 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.2 m-90 -154.66 117.73 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.5 Cg_endo -69.76 124.05 10.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.1 m-85 -43.45 -22.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.1 tp -67.85 -58.17 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.2 p -50.5 -36.6 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 59' ' ' TYR . 77.7 mt -59.82 92.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -78.12 -42.13 32.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.908 ' HG3' HG21 ' B' ' 12' ' ' VAL . 52.0 ttp180 -129.54 137.64 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.49 ' C ' HG23 ' B' ' 12' ' ' VAL . 16.9 p90 -145.3 112.52 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.97 -163.41 13.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -166.47 159.46 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -145.87 177.47 8.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -46.61 -63.35 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -129.9 42.18 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.2 tm? -150.35 128.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.541 ' N ' HD13 ' A' ' 71' ' ' LEU . 13.7 t80 -131.47 110.34 10.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.3 t -126.22 157.33 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.0 145.18 25.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 76' ' ' SER . 14.2 tt0 -101.9 153.73 19.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.416 ' O ' ' OE1' ' A' ' 84' ' ' GLN . 2.7 p -150.88 127.07 10.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.76 179.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 9.1 ptt180 -81.44 36.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -108.93 -34.04 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 10.0 p -59.68 145.96 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -40.43 -56.57 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -55.78 -40.41 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.47 175.77 19.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.478 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 4.6 tp60 -65.53 118.26 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 175.17 152.21 9.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.44 HG22 HD12 ' B' ' 4' ' ' LEU . 92.7 mt -93.69 126.88 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.106 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.65 114.75 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.421 ' CB ' HD11 ' B' ' 4' ' ' LEU . . . -101.11 132.08 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -126.97 139.66 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.701 ' HD2' HG11 ' A' ' 26' ' ' VAL . 38.0 mttp -85.21 131.8 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.9 p -147.37 -176.62 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -120.3 -22.16 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' ALA . 21.3 mtm180 -111.56 27.23 9.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' ARG . . . -35.0 -43.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' PHE . 11.7 tt0 -60.97 -55.66 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -39.48 -57.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 40' ' ' LEU . 10.5 mt -61.34 -32.93 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -70.76 -33.45 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -79.19 -29.78 43.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 104' ' ' LEU . 1.8 tt -82.61 -40.72 20.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.499 HD21 HD11 ' A' ' 45' ' ' LEU . 14.4 mt -53.58 -54.87 31.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.48 -26.7 61.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.59 -39.41 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 100' ' ' LEU . 61.8 mt -75.78 -33.99 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 26.1 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.894 0.378 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -96.24 124.01 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.44 HD12 HG22 ' A' ' 86' ' ' ILE . 29.5 mt -95.16 164.65 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -99.22 -39.56 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -129.47 164.79 22.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.431 ' CD1' ' HD2' ' B' ' 8' ' ' PRO . 2.7 t80 -86.36 121.92 72.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 53.5 Cg_endo -69.79 -50.66 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.83 151.0 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.32 -73.81 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.46 99.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.908 HG21 ' HG3' ' A' ' 64' ' ' ARG . 7.1 p -119.62 146.17 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 18.8 p-10 -114.32 78.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -38.3 129.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.791 0.246 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 13.5 m-20 -71.1 -1.13 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -134.46 40.42 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.6 t-80 -70.82 141.15 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 p -94.92 -27.9 15.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -115.45 147.18 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -147.49 108.71 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -68.81 127.0 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -125.13 174.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 26' ' ' VAL . 72.3 m -137.55 107.53 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -56.06 119.22 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 24' ' ' THR . 34.9 m -123.05 179.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.705 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.7 p-10 -113.27 -175.18 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.9 -42.82 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.81 -40.51 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.1 12.2 7.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.705 HG22 ' OD1' ' A' ' 27' ' ' ASP . 20.9 m -73.73 167.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -100.55 113.47 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -96.18 -63.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.57 149.43 19.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.9 p -96.83 142.42 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.599 ' HA3' HD23 ' A' ' 49' ' ' LEU . . . -159.37 169.96 35.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -120.34 121.02 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.587 ' SD ' HD22 ' A' ' 45' ' ' LEU . 34.7 tpp -85.33 130.04 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.812 ' HG2' HG23 ' A' ' 41' ' ' THR . 29.6 tt0 -114.57 131.09 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.586 HD11 HG23 ' A' ' 97' ' ' ILE . 8.3 mp -102.68 76.12 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.812 HG23 ' HG2' ' A' ' 39' ' ' GLU . 36.8 p -94.43 130.99 40.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' THR . 36.7 mt-30 -35.84 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 t -65.19 -61.43 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -172.53 -179.5 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.741 HD12 HD11 ' A' ' 62' ' ' LEU . 9.2 mt -92.48 123.86 36.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t -123.84 142.48 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.536 HD12 ' CH2' ' A' ' 57' ' ' TRP . 11.7 mt -108.27 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.31 103.27 15.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.599 HD23 ' HA3' ' A' ' 36' ' ' GLY . 7.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.672 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 62.9 t -115.67 162.83 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.591 ' N ' HG12 ' A' ' 55' ' ' VAL . 9.1 mtt85 -141.46 135.63 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.672 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 18.3 m-90 -129.89 112.69 17.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.77 121.52 8.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.415 ' HA ' HD12 ' A' ' 62' ' ' LEU . 29.7 m-85 -38.39 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -63.04 -60.06 3.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.4 p -58.9 -36.09 74.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 45' ' ' LEU . 11.3 mt -48.13 97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.11 -54.93 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -153.04 172.03 17.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 3.6 p90 -149.15 131.6 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.41 -169.34 14.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -166.26 146.46 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -144.67 171.75 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.0 p -46.64 -55.91 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -133.55 42.62 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -151.83 130.48 12.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.566 ' N ' HD13 ' A' ' 71' ' ' LEU . 31.9 t80 -140.6 108.98 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -129.49 167.79 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 9.4 p90 -151.67 142.73 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.28 148.5 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.3 m -146.01 153.24 40.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.38 -148.47 1.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.458 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -105.85 -37.13 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 10.7 ptm180 -45.1 -25.35 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 p -66.27 160.29 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -52.75 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p -51.11 -33.03 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.05 179.1 44.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.458 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 11.0 pt20 -44.26 141.69 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.55 149.86 5.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.0 mt -105.01 136.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -121.61 123.91 43.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -100.74 165.03 11.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -155.78 120.78 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HG3' HG11 ' A' ' 26' ' ' VAL . 67.8 mttt -67.83 118.66 11.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.9 166.67 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.4 m -108.77 -32.86 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.462 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -98.1 38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.18 -54.5 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -49.06 -55.31 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -41.87 -54.9 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.586 HG23 HD11 ' A' ' 40' ' ' LEU . 14.5 mt -62.36 -31.46 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -34.94 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -72.59 -28.04 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.91 -43.78 12.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.607 HD21 HD11 ' A' ' 45' ' ' LEU . 10.1 mt -45.51 -52.99 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -59.92 -37.89 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.77 -25.3 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.9 mt -92.58 -30.49 15.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 9.4 mmm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.815 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 34.1 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.02 134.51 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 88' ' ' ALA . 22.5 mt -105.21 166.59 10.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -97.15 -42.9 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -132.87 -179.9 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.22 120.86 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -49.56 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 65.2 m -60.85 145.68 49.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.19 -63.38 0.84 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -74.66 89.61 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -98.27 151.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 62.9 t-20 -108.21 92.26 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -55.4 133.54 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.803 0.251 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.64 4.59 9.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.37 18.18 9.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.414 ' CE1' ' HG1' ' A' ' 19' ' ' THR . 4.3 t-80 -58.94 134.1 87.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.553 0.692 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.22 36.53 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.414 ' HG1' ' CE1' ' A' ' 17' ' ' HIS . 21.9 p -113.34 -17.8 12.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -120.91 130.99 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -132.88 108.27 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.25 106.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.72 177.84 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' HG13 ' A' ' 26' ' ' VAL . 51.9 m -147.07 108.44 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -54.87 130.57 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 24' ' ' THR . 28.5 m -130.72 174.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.782 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.8 p-10 -109.82 -175.55 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.21 -51.87 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.78 -35.36 74.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.88 0.14 24.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.782 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.6 m -57.9 164.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 111.171 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -97.73 105.14 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 27' ' ' ASP . 25.7 mt -86.42 -56.65 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.28 143.38 10.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 154.83 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.72 171.1 36.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.448 ' O ' HD22 ' A' ' 47' ' ' LEU . 33.2 t -119.51 126.38 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 40.2 ttm -109.89 125.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -114.54 136.29 53.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.909 HD11 HG23 ' A' ' 97' ' ' ILE . 7.1 mp -101.6 97.66 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 42' ' ' GLN . 41.2 p -118.37 131.71 56.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 41' ' ' THR . 94.6 mt-30 -32.45 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 8.7 t -61.34 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.95 -177.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD11 HD21 ' A' ' 101' ' ' LEU . 10.1 mt -88.97 121.89 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.62 121.98 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 37' ' ' VAL . 0.8 OUTLIER -111.77 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -109.56 138.77 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.8 t -98.69 124.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.7 151.95 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.401 ' CZ3' ' HZ ' ' A' ' 74' ' ' PHE . 2.3 m-90 -138.76 124.09 12.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.582 0.706 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.409 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 54.4 Cg_endo -69.77 140.88 43.71 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.895 ' HA ' HD12 ' A' ' 62' ' ' LEU . 11.4 m-85 -74.19 -30.4 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -73.58 -77.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 1.3 m -34.76 -37.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 59' ' ' TYR . 6.0 mt -33.73 132.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -90.56 -63.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.989 ' HG3' HG21 ' B' ' 12' ' ' VAL . 14.0 ttp-105 -136.23 149.95 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.619 ' C ' HG23 ' B' ' 12' ' ' VAL . 54.6 p90 -151.91 108.31 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.05 -168.1 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.403 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.3 p90 -156.2 162.62 40.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.8 m-20 -154.3 169.23 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' ASP . 15.3 t -35.04 -71.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -123.36 29.0 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.723 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.4 tm? -137.85 132.16 32.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.723 ' N ' HD13 ' A' ' 71' ' ' LEU . 54.7 t80 -142.56 107.07 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.2 t -116.29 166.22 12.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.9 p90 -160.02 140.6 11.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -101.6 156.48 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.4 p -140.67 149.13 41.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' GLY . . . -62.76 -151.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -111.99 -32.3 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -64.89 -14.34 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -66.43 -175.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.07 -61.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 p -72.2 -34.32 68.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . 94.36 -162.01 24.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.9 155.12 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.03 140.67 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 98.3 mt -99.01 136.62 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -123.82 122.6 38.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.75 129.79 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -120.45 138.92 53.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -97.57 116.18 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.1 148.39 48.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 t -80.54 -28.56 37.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -112.53 47.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -56.86 -57.21 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 98' ' ' PHE . 19.0 tt0 -37.81 -60.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -39.78 -53.71 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.909 HG23 HD11 ' A' ' 40' ' ' LEU . 12.3 mt -62.48 -31.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -78.67 -25.13 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -89.14 -18.29 27.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.3 tp -95.34 -30.56 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 45' ' ' LEU . 10.5 mt -54.01 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -53.66 -29.75 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.9 -36.03 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.22 -36.93 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.412 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 65.1 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 15.8 t80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -83.81 126.9 33.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 mt -93.8 172.85 7.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.64 -39.75 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -140.17 154.99 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.38 125.28 91.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.2 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 t -66.5 153.89 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.1 -42.16 1.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -92.35 100.28 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.989 HG21 ' HG3' ' A' ' 64' ' ' ARG . 6.6 p -116.24 138.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' B' ' 14' ' ' TYR . 8.4 t30 -104.64 70.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' B' ' 13' ' ' ASN . 54.0 m-85 -35.45 138.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.817 0.257 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.65 10.24 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.05 20.25 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.506 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -62.83 140.69 97.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.589 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.74 -43.04 2.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.6 p -87.2 -23.93 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -115.8 135.38 54.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 85.7 m-85 -136.22 109.62 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -67.88 119.53 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -119.8 164.82 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 26' ' ' VAL . 21.4 m -131.65 109.9 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.16 108.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 31' ' ' VAL . 27.6 m -115.1 -178.91 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.701 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.4 p-10 -113.3 -174.91 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.87 -39.41 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.51 -39.59 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.81 15.64 7.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.701 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.1 m -75.92 164.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -96.43 110.13 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.77 -58.16 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.37 138.98 7.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.9 p -84.74 138.85 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.64 165.65 30.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.08 122.13 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.4 tpp -89.08 133.69 34.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.648 ' HG2' HG23 ' A' ' 41' ' ' THR . 19.0 tt0 -124.27 131.09 53.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.45 88.53 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 39' ' ' GLU . 13.9 p -107.07 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' THR . 38.8 mt-30 -32.98 -40.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -58.65 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -174.96 -179.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 62' ' ' LEU . 13.0 mt -87.62 120.25 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.01 138.96 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.631 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 13.5 mt -110.77 128.53 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -106.06 125.18 50.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.789 0.328 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.71 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 48.7 t -116.48 160.38 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.538 ' N ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -135.52 157.83 45.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.71 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 29.6 m-90 -148.95 111.83 3.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 127.97 15.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.1 m-85 -43.13 -31.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.82 -59.52 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.67 -40.59 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 59' ' ' TYR . 14.6 mt -44.27 105.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -70.88 -52.58 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.64 ' O ' HG23 ' B' ' 12' ' ' VAL . 7.3 p90 -136.89 120.52 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.45 161.31 15.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HB3' ' CB ' ' A' ' 98' ' ' PHE . 5.3 p90 -124.98 168.63 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.57 -176.07 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LEU . 48.2 t -70.8 123.47 22.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 39.19 25.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -136.68 127.81 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -136.83 116.6 13.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.5 t -140.68 158.19 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -145.39 146.75 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -107.36 135.69 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 m -138.03 137.99 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.68 160.74 51.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -47.91 -26.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -21.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.7 p -74.06 165.72 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.31 -69.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.8 p -46.3 -40.78 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 111.05 176.84 20.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.468 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 8.5 tt0 -51.83 137.95 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.31 143.2 4.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 70.3 mt -94.64 141.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -126.07 124.61 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -105.85 158.59 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 11.4 m-85 -153.36 136.92 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -84.23 119.24 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.74 172.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.5 t -97.11 -40.44 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -109.41 58.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.25 -57.25 13.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' PHE . 15.4 tt0 -49.08 -55.69 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.38 -47.7 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.0 mt -63.34 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.1 -19.75 59.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -90.3 -22.98 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 100' ' ' LEU . 3.3 tt -91.4 -36.57 13.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.28 -54.07 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.1 -33.78 65.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -24.86 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.5 mt -94.16 -26.22 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 12.6 mmm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.856 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 41.6 t80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.566 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -89.78 147.22 23.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 88' ' ' ALA . 12.5 mt -117.83 153.07 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -84.63 -49.6 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -125.52 160.45 29.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 5.7 t80 -85.04 118.38 70.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 54.2 Cg_endo -69.73 -45.82 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.513 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 33.3 m -65.53 95.76 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -61.51 5.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.35 101.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 65' ' ' TYR . 7.2 p -121.18 141.29 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.418 ' C ' ' OD1' ' B' ' 13' ' ' ASN . 5.5 t30 -101.59 82.88 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -44.92 127.71 6.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.827 0.261 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 9.1 p30 -74.74 0.24 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -130.58 32.11 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.543 ' CD2' ' HD2' ' A' ' 14' ' ' PRO . 1.5 t-80 -64.6 139.01 97.63 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.05 27.94 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 p -104.12 -29.35 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -114.89 152.11 32.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 27.9 m-85 -145.61 106.11 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -65.01 113.42 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -114.44 167.63 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 26' ' ' VAL . 55.4 m -134.78 99.1 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -52.3 126.6 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.668 HG11 ' HD2' ' A' ' 90' ' ' LYS . 33.5 m -127.11 -178.24 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.651 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.3 p-10 -112.44 -174.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.17 -48.16 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.78 -40.03 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.73 17.25 6.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.651 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.5 m -76.83 161.82 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -97.34 113.79 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.91 -61.43 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.11 142.86 13.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -90.93 138.63 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.96 166.93 29.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -119.88 121.27 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.41 ' CG ' HD22 ' A' ' 45' ' ' LEU . 40.3 ttm -95.58 125.7 40.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.757 ' HG2' HG23 ' A' ' 41' ' ' THR . 67.0 tt0 -109.52 130.95 55.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 97' ' ' ILE . 8.2 mp -99.35 81.1 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.757 HG23 ' HG2' ' A' ' 39' ' ' GLU . 76.9 p -99.4 136.5 39.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 32.0 mt-30 -35.32 -39.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -58.36 -65.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -174.48 -177.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.538 HD11 HD21 ' A' ' 101' ' ' LEU . 16.0 mt -87.5 129.71 34.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.722 HG22 ' HG2' ' A' ' 56' ' ' ARG . 85.3 t -133.49 136.46 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.2 mt -100.84 163.96 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -132.0 110.8 11.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.575 HG13 HG23 ' A' ' 82' ' ' THR . 43.7 t -92.38 130.55 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.722 ' HG2' HG22 ' A' ' 46' ' ' VAL . 44.8 mtp180 -125.2 166.53 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.595 ' CZ2' HG21 ' A' ' 82' ' ' THR . 10.2 m-90 -152.78 112.8 2.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.73 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.6 m-85 -40.51 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 tt -64.97 -68.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ARG . 99.9 m -48.94 -42.12 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 59' ' ' TYR . 10.7 mt -33.77 95.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.6 tpp180 -57.87 -57.58 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.869 ' HB2' HG21 ' B' ' 12' ' ' VAL . 8.4 ptp180 -146.18 145.93 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.568 ' O ' HG23 ' B' ' 12' ' ' VAL . 3.4 p90 -125.48 116.19 21.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.57 -178.83 20.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.27 163.32 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.921 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -159.74 160.68 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.0 m -41.5 -59.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -131.44 36.5 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -152.79 125.23 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.576 ' N ' HD13 ' A' ' 71' ' ' LEU . 68.5 t80 -134.76 115.03 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -127.02 165.94 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -149.96 155.73 40.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 8.1 mp0 -97.13 155.08 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.6 p -146.33 133.49 20.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.11 -139.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -123.07 -33.79 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -64.93 -13.66 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.2 p -68.75 -176.41 0.82 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.73 ' OE1' HG23 ' A' ' 82' ' ' THR . 2.8 tm0? -77.38 -55.25 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.73 HG23 ' OE1' ' A' ' 81' ' ' GLN . 4.0 p -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.8 173.19 37.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -44.36 144.5 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.28 131.76 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.696 HG22 HD12 ' B' ' 4' ' ' LEU . 49.0 mt -90.77 126.72 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -111.69 126.51 55.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -105.64 158.12 16.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -144.97 150.72 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.668 ' HD2' HG11 ' A' ' 26' ' ' VAL . 48.9 mttt -104.86 138.37 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 94' ' ' ALA . 22.5 p -163.08 -175.02 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.9 m -122.08 -23.34 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -107.36 32.65 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.43 ' HB2' ' SG ' ' A' ' 91' ' ' CYS . . . -48.88 -59.21 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -45.34 -46.75 13.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 40' ' ' LEU . 18.9 mt -69.58 -34.81 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -29.11 63.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -77.52 -31.94 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 45.4 tp -86.85 -35.13 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 45' ' ' LEU . 11.6 mt -47.56 -62.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -58.16 -29.53 65.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.26 -26.22 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.4 mt -91.73 -39.2 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 21.6 mtp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 13.3 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ARG . . . . . 0.568 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -67.87 149.28 50.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.696 HD12 HG22 ' A' ' 86' ' ' ILE . 15.9 mt -117.81 165.67 13.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -99.7 -44.84 5.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -136.61 155.43 49.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' B' ' 9' ' ' CYS . 0.8 OUTLIER -68.97 113.49 16.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.881 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 3.03 3.03 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' CYS . . . . . 0.513 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 19.5 t -100.64 -74.68 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.9 -42.5 1.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -95.87 90.64 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.869 HG21 ' HB2' ' A' ' 64' ' ' ARG . 5.4 p -114.35 138.45 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' B' ' 14' ' ' TYR . 10.4 p-10 -97.72 81.38 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 10.0 m-85 -34.72 134.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -167.57 164.32 14.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -162.92 175.13 11.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.03 103.12 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -119.31 136.2 54.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -135.71 152.75 51.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.44 43.01 2.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.6 mt -106.83 127.14 53.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -70.09 150.69 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.43 139.04 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -95.25 -54.4 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 p -144.72 123.71 12.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.57 HG13 ' HE2' ' A' ' 22' ' ' LYS . 7.2 p -57.57 123.01 60.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 166.13 28.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.74 2.293 . . . . 0.0 112.307 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.7 3.24 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -132.0 30.94 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -65.35 141.08 97.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.74 -35.06 13.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 p -99.34 -23.0 15.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -115.55 155.7 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 58.4 m-85 -155.19 105.55 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HE2' HG13 ' A' ' 13' ' ' VAL . 22.3 mttm -61.08 113.55 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.4 164.15 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 26' ' ' VAL . 40.4 m -132.02 100.07 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -53.21 118.66 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 24' ' ' THR . 33.7 m -115.93 175.8 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.746 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.8 p-10 -108.19 178.51 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -44.54 -42.64 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.81 -3.44 27.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.746 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.8 m -58.53 165.82 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.89 114.59 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 13.7 mt -94.46 -53.99 3.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.99 153.46 25.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 p -94.29 147.36 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.2 34.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.47 123.21 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.483 ' CE ' HD21 ' A' ' 47' ' ' LEU . 44.2 tpp -94.03 139.32 31.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.752 ' O ' HD23 ' A' ' 45' ' ' LEU . 12.3 tt0 -120.08 132.74 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.7 HD11 HG23 ' A' ' 97' ' ' ILE . 8.9 mp -109.48 84.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.1 OUTLIER -114.01 140.04 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 11.8 mp0 -35.14 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 12.0 t -58.97 -71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -174.53 179.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.756 HD11 HD21 ' A' ' 101' ' ' LEU . 11.4 mt -88.66 124.49 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -126.35 131.77 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.879 HD12 ' CH2' ' A' ' 57' ' ' TRP . 17.5 mt -100.93 141.34 33.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.494 ' C ' HD23 ' A' ' 49' ' ' LEU . 87.3 m-70 -115.6 140.68 48.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -151.74 -175.95 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 52' ' ' ARG . 10.0 t60 -48.18 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' HIS . 13.5 mmm180 -34.37 -33.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' HIS . 25.4 mmt180 -39.65 158.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -64.8 146.0 55.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.31 -179.24 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.438 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 14.2 t -141.61 157.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' N ' HG12 ' A' ' 55' ' ' VAL . 10.5 mtt180 -137.47 151.08 48.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.879 ' CH2' HD12 ' A' ' 47' ' ' LEU . 27.5 m-90 -139.95 114.79 7.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.69 21.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.619 ' HA ' HD12 ' A' ' 62' ' ' LEU . 21.1 m-85 -52.88 -21.84 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD13 ' CD2' ' B' ' 16' ' ' TYR . 4.3 mm? -63.62 -75.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 3.0 m -36.17 -51.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 59' ' ' TYR . 54.3 mt -34.74 96.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.534 ' NH1' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.76 -45.13 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -134.96 138.35 43.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.695 ' C ' HG23 ' B' ' 12' ' ' VAL . 23.4 p90 -140.2 108.34 5.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.98 -162.81 12.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -160.59 169.29 23.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.935 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' SER . 5.0 m-20 -174.14 165.6 4.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 70' ' ' ASN . 5.2 m -38.11 119.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.8 p-10 32.84 42.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.3 tm? -146.54 126.53 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 101' ' ' LEU . 48.3 t80 -143.83 130.79 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -148.86 168.46 22.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -151.46 146.16 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.07 131.77 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -128.01 153.22 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.534 ' N ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.47 -148.1 0.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.04 -2.32 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -84.26 -12.85 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' GLN . 10.5 p -76.94 151.53 35.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' CYS . 9.8 tt0 -37.54 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.415 HG23 HG11 ' A' ' 55' ' ' VAL . 27.3 p -47.42 -59.83 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.72 -173.57 16.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.7 129.97 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 87' ' ' PHE . . . 144.65 148.76 4.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.519 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.5 mt -93.64 152.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' B' ' 1' ' ' LEU . 1.0 OUTLIER -137.0 118.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.622 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.75 155.84 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -146.58 149.55 33.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -98.66 126.12 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.48 179.43 6.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 t -104.85 -24.6 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -122.98 49.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.98 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.53 -48.51 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.05 -48.17 44.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.7 HG23 HD11 ' A' ' 40' ' ' LEU . 11.5 mt -66.98 -31.94 55.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -37.75 67.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.0 -20.43 59.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.519 HD23 HD22 ' A' ' 40' ' ' LEU . 34.4 tp -92.79 -35.42 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.756 HD21 HD11 ' A' ' 45' ' ' LEU . 12.4 mt -52.75 -53.65 45.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -63.6 -12.52 33.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.7 -36.9 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 40' ' ' LEU . 19.3 mt -85.69 -30.17 23.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.0 mtp -67.92 -47.86 67.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -39.67 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.2 t -59.17 -22.48 61.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 109' ' ' SER . 5.6 m120 37.45 50.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 108' ' ' ASN . 67.0 m -36.52 112.38 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mp -92.93 101.18 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 113' ' ' MET . 26.3 m-20 39.43 31.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 111' ' ' ASN . 1.4 p -35.78 -30.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -122.33 149.83 43.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.22 96.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -80.99 152.73 71.92 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.717 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -174.78 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.86 132.13 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 120' ' ' THR . 26.7 mm -127.85 145.34 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 120' ' ' THR . 12.1 pt -39.93 -37.12 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.676 ' H ' HG22 ' A' ' 118' ' ' ILE . 1.3 t -35.96 -35.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.9 ptt85 -43.07 151.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -60.09 121.01 10.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' HIS . 55.7 p -161.87 175.2 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' SER . 20.0 p-80 -38.46 143.54 0.43 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 147.39 62.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -153.88 176.63 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.88 82.28 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tt -104.12 138.34 40.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -43.29 159.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.0 pp -116.18 148.7 42.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.286 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -76.39 176.19 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -148.84 143.66 17.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 166.62 27.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.44 ' CD ' ' HD2' ' A' ' 136' ' ' PRO . 35.4 tp60 -93.89 136.89 23.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.44 ' HD2' ' CD ' ' A' ' 135' ' ' GLN . 54.2 Cg_endo -69.74 132.01 22.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -174.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -105.76 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.19 160.63 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.1 tp -116.4 125.49 52.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.27 -155.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.456 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -153.39 156.57 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.906 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 9.4 t -82.02 157.76 24.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.1 p -102.61 138.7 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -79.3 178.98 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.829 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 87' ' ' PHE . 3.7 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.466 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 44.1 t80 -55.99 139.6 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -91.37 122.65 34.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.8 mt -95.96 158.37 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -84.35 -39.7 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -148.94 170.11 19.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.3 t80 -74.32 117.94 65.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.53 18.84 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.2 t -102.06 160.32 14.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.75 -31.89 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -98.81 96.07 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.695 HG23 ' C ' ' A' ' 65' ' ' TYR . 6.7 p -123.4 141.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.488 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 8.9 p-10 -105.01 77.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' B' ' 13' ' ' ASN . 18.2 m-85 -36.23 133.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.62 -69.59 0.52 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.482 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.668 ' CD2' HD13 ' A' ' 60' ' ' LEU . 24.4 m-85 -84.06 121.82 27.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.944 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -98.55 5.39 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -94.47 147.17 23.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 p -144.82 177.76 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 p -142.57 165.75 26.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.56 -178.53 22.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -150.68 158.87 44.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -146.36 170.27 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.06 156.23 27.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.6 pp -116.57 151.6 35.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -129.21 143.21 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -75.06 173.43 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.49 -42.97 58.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.2 t -60.62 143.44 53.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -99.97 120.47 56.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 161.27 46.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.81 -0.55 43.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -124.31 29.05 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.97 140.67 97.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.77 -34.82 13.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -98.3 -20.17 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 141.88 48.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -140.84 105.46 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -68.43 114.72 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.632 HG12 ' HB3' ' A' ' 91' ' ' CYS . 30.9 m -112.96 165.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 26' ' ' VAL . 98.0 m -133.06 99.16 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -49.72 137.2 16.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HG3' ' A' ' 90' ' ' LYS . 34.7 m -132.12 -179.67 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.934 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -109.94 -177.5 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.51 -38.08 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.76 -41.97 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.3 4.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.934 HG22 ' OD1' ' A' ' 27' ' ' ASP . 35.7 m -79.01 169.85 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -103.36 115.1 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.2 mt -100.32 -66.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.6 135.41 7.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -86.79 153.1 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.78 170.18 36.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.0 t -121.69 122.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.565 ' SD ' HD22 ' A' ' 45' ' ' LEU . 33.7 tpp -94.32 129.73 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 41' ' ' THR . 26.8 tt0 -113.14 130.95 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.722 HD11 HG23 ' A' ' 97' ' ' ILE . 8.5 mp -98.75 87.79 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.641 HG23 ' HG2' ' A' ' 39' ' ' GLU . 37.8 p -108.29 133.66 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . 86.3 mt-30 -34.53 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' THR . 19.5 m -62.0 -65.1 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -174.49 -179.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD22 ' SD ' ' A' ' 38' ' ' MET . 11.7 mt -87.9 116.43 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.598 HG22 ' CG ' ' A' ' 56' ' ' ARG . 87.4 t -116.79 138.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD12 ' CH2' ' A' ' 57' ' ' TRP . 17.0 mt -101.47 157.87 16.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -127.01 124.48 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 53' ' ' GLU . 42.3 mt -123.25 -175.49 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -97.93 -75.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -91.45 -39.31 12.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.699 ' HB2' HD13 ' A' ' 49' ' ' LEU . 4.8 mpt_? -65.57 156.59 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.728 ' O ' HD12 ' A' ' 49' ' ' LEU . 11.1 mt-10 -71.8 166.69 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.28 147.31 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 56' ' ' ARG . 23.4 t -118.75 159.65 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.598 ' CG ' HG22 ' A' ' 46' ' ' VAL . 2.1 mpp_? -141.39 153.18 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.421 ' CH2' HD12 ' A' ' 47' ' ' LEU . 14.3 m-90 -141.04 113.49 6.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.545 0.688 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 122.94 9.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.779 ' HA ' HD12 ' A' ' 62' ' ' LEU . 26.5 m-85 -45.0 -27.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.81 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.423 ' SG ' ' CG ' ' A' ' 79' ' ' ARG . 60.6 m -49.6 -43.26 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 59' ' ' TYR . 31.2 mt -41.58 97.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' CYS . 13.5 ptm180 -71.27 -38.28 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.31 156.78 42.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 7.5 p90 -151.59 124.25 8.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.97 -164.02 12.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -167.64 158.54 11.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -147.17 168.24 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -52.31 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 34.65 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.7 OUTLIER -150.17 127.73 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.634 ' N ' HD13 ' A' ' 71' ' ' LEU . 25.7 t80 -137.7 119.6 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.7 t -137.35 166.25 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -147.69 142.43 26.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -97.24 155.74 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -153.27 153.77 33.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -78.93 -133.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' CYS . 32.2 mtp180 -110.64 -48.94 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' CG ' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -36.11 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' ARG . 11.1 p -63.48 149.02 47.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 82' ' ' THR . 18.4 tt0 -43.65 -69.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 65.7 p -52.72 -37.34 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 85.71 -179.03 50.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLY . 3.8 pt20 -35.98 147.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.34 143.49 6.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.556 HG22 HD12 ' B' ' 4' ' ' LEU . 22.3 mt -101.71 144.64 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.401 ' CG ' HD12 ' B' ' 1' ' ' LEU . 26.8 m-85 -130.06 119.73 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.93 165.97 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -156.03 136.37 13.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.56 ' HG3' HG11 ' A' ' 26' ' ' VAL . 28.2 mttm -88.31 116.73 26.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.632 ' HB3' HG12 ' A' ' 23' ' ' VAL . 5.0 p -132.49 -179.22 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 t -114.89 -19.56 10.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -119.61 43.56 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.52 -60.76 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 98' ' ' PHE . 9.3 tt0 -43.92 -57.24 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -38.36 -56.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.722 HG23 HD11 ' A' ' 40' ' ' LEU . 10.5 mt -61.35 -33.07 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -71.76 -32.73 68.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -83.23 -19.56 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 100' ' ' LEU . 1.7 tt -93.77 -33.29 13.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 45' ' ' LEU . 11.0 mt -58.13 -63.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -50.86 -22.57 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.61 -30.24 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.78 -37.67 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 71.6 mtp -58.71 -45.54 89.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 107' ' ' CYS . 9.6 pt20 -59.29 -42.17 90.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 2.6 t -72.18 -38.11 69.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -46.52 135.34 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.0 m -38.68 132.53 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 45.5 mm -113.79 -70.13 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -119.7 37.15 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 54.3 t -101.14 -42.62 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 17.2 mmt -113.67 159.45 19.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -97.49 123.64 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -79.78 135.15 56.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.61 2.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.4 p -120.15 140.86 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 118' ' ' ILE . 5.1 mp -133.13 130.93 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.9 mm -112.18 123.32 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.8 t -115.03 150.2 36.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -53.1 125.0 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -98.57 165.85 11.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -150.43 156.55 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.07 139.27 76.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -178.11 2.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.83 149.76 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -105.93 146.55 29.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 129' ' ' ASP . 9.3 tt -101.43 150.69 22.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' N ' HD23 ' A' ' 128' ' ' LEU . 2.8 m-20 -129.97 166.55 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.4 pp -116.79 157.1 47.05 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -175.95 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.39 174.96 5.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -137.47 150.26 67.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.72 6.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -118.74 144.75 36.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 153.78 68.51 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.03 4.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -117.86 179.48 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -138.74 172.76 12.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tt -137.95 133.56 33.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -90.54 -145.54 14.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -122.85 176.5 5.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.9 p -96.36 -15.13 22.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 144' ' ' VAL . 7.6 t 65.36 46.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.0 m -57.56 137.54 56.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' B' ' 1' ' ' LEU . 4.0 mm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.844 0.355 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.1 t80 -59.61 139.03 57.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.74 110.12 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.556 HD12 HG22 ' A' ' 86' ' ' ILE . 13.6 mt -82.5 169.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 44.2 mtm-85 -101.91 -41.67 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -135.68 -179.16 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -93.46 120.36 66.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -47.23 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -56.86 140.28 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.72 -47.0 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.46 87.5 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -106.89 146.22 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 19.3 p-10 -116.1 94.0 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -48.71 140.0 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.91 -67.36 0.55 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -90.44 123.73 34.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -144.05 136.57 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.33 135.47 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -42.93 150.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.933 0.397 . . . . 0.0 110.808 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -147.34 110.21 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.69 100.27 0.72 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 m -111.07 159.32 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 p -90.87 134.99 34.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.8 166.22 12.4 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.59 139.09 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.66 -1.3 22.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.53 166.31 23.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.14 31.85 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -156.63 142.06 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 13' ' ' VAL . 8.8 p -73.6 117.82 63.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.18 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 149.3 66.49 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 5.59 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -133.27 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.34 140.73 88.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.643 0.735 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 54.4 Cg_endo -69.72 -26.87 27.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.9 p -105.06 -24.67 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 120.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.24 105.51 9.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG2' HG22 ' A' ' 37' ' ' VAL . 13.2 mttp -70.38 111.85 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.34 173.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.515 ' O ' HG13 ' A' ' 26' ' ' VAL . 19.4 m -142.95 105.08 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.521 HD21 ' HE2' ' A' ' 89' ' ' PHE . 15.2 t-20 -54.96 120.66 7.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' A' ' 90' ' ' LYS . 25.5 m -118.64 163.22 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.742 ' OD1' HG22 ' A' ' 31' ' ' VAL . 6.5 p-10 -95.87 -178.57 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -41.05 59.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.97 -35.93 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.86 3.26 25.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.742 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.7 m -69.17 164.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.44 106.99 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.63 -60.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.69 146.98 18.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.3 p -90.52 148.17 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.77 169.49 36.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.53 HG22 ' HG2' ' A' ' 22' ' ' LYS . 69.7 t -127.17 121.63 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.9 tpp -93.44 128.36 39.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -110.08 133.19 53.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.736 HD11 HG23 ' A' ' 97' ' ' ILE . 6.7 mp -102.62 99.39 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' SER . 71.4 p -113.96 137.73 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -39.83 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 7.3 m -73.76 -71.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -161.36 -176.23 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 62' ' ' LEU . 10.9 mt -92.08 134.02 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.651 HG22 ' CG ' ' A' ' 56' ' ' ARG . 70.3 t -133.45 145.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.526 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 16.0 mt -109.38 162.83 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.426 ' C ' HD23 ' A' ' 49' ' ' LEU . 96.4 m-70 -133.17 108.72 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 49' ' ' LEU . 0.2 OUTLIER -150.13 158.78 44.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 51' ' ' ARG . 16.5 p80 -93.71 -42.39 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' HIS . 2.2 mmp_? -35.12 -64.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -120.93 177.83 4.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.69 163.57 13.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 135.04 56.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.515 HG11 ' CG2' ' A' ' 82' ' ' THR . 5.7 t -115.4 146.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.651 ' CG ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -133.92 175.06 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.732 ' HZ2' HG21 ' A' ' 82' ' ' THR . 24.3 m-90 -155.44 121.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.77 121.87 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.248 . . . . 0.0 112.377 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 62' ' ' LEU . 16.8 m-85 -41.98 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.796 HD13 ' CD2' ' B' ' 16' ' ' TYR . 3.9 mm? -68.28 -68.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.9 m -43.69 -34.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 59' ' ' TYR . 17.7 mt -52.29 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -125.71 146.84 49.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 43.6 p90 -144.44 110.95 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.91 -159.5 12.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.406 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 2.7 p90 -164.24 165.97 21.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -174.19 161.22 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.9 t -41.03 128.31 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.0 p-10 32.12 36.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.6 tm? -146.3 127.57 14.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.462 ' N ' HD13 ' A' ' 71' ' ' LEU . 32.9 t80 -146.23 116.59 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -131.34 168.88 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -160.19 139.75 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -97.58 161.67 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 p -154.47 154.15 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.69 -139.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -123.36 -22.48 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -66.73 -13.95 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.0 p -60.02 175.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.36 -44.92 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.732 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 37.6 p -67.29 -32.75 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 93.6 154.22 30.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' GLY . 10.4 pt20 -35.11 132.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.05 147.17 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.493 HG22 HD12 ' B' ' 4' ' ' LEU . 68.5 mt -95.36 141.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -130.56 116.24 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.8 150.03 25.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HE2' HD21 ' A' ' 25' ' ' ASN . 4.0 m-85 -142.71 143.69 32.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.544 ' HG3' HG11 ' A' ' 26' ' ' VAL . 32.5 mttp -85.16 130.17 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.2 t -169.23 111.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -59.66 -21.74 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 36.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.46 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -52.01 -58.5 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -42.43 -43.96 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.736 HG23 HD11 ' A' ' 40' ' ' LEU . 10.0 mt -72.7 -35.73 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -73.43 -23.64 60.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -89.71 -24.82 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 100' ' ' LEU . 1.4 tt -91.05 -26.31 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.14 -55.95 23.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.5 -17.74 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.52 -34.69 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.7 mt -87.62 -42.07 12.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 37.3 mmm -53.39 -38.51 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 107' ' ' CYS . 4.8 pt20 -76.9 -29.73 55.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 1.8 t -56.44 -30.99 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -42.99 138.44 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.3 p -44.92 135.18 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.62 ' O ' HG13 ' A' ' 112' ' ' VAL . 14.9 mm -113.18 78.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 44.34 37.94 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.641 HG23 ' HG3' ' A' ' 113' ' ' MET . 35.1 m -108.36 -17.78 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.641 ' HG3' HG23 ' A' ' 112' ' ' VAL . 42.2 mtm -131.62 -176.24 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 114' ' ' GLU . 0.7 OUTLIER -130.74 107.16 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -137.71 140.14 28.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.47 53.81 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 117' ' ' VAL . 13.7 p -108.63 111.59 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 119' ' ' ILE . 3.0 mm -71.44 153.15 8.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.423 ' N ' HG22 ' A' ' 118' ' ' ILE . 3.5 pt -112.34 118.97 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.9 p -117.91 88.61 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 121' ' ' ARG . 1.6 tmm_? -97.44 94.98 7.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -127.43 71.57 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.6 p -162.56 178.74 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -103.9 137.73 19.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 146.77 61.36 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -169.17 152.65 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.116 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -141.4 171.84 13.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 45.8 tp -165.09 141.36 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.87 144.11 45.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.84 ' C ' HD22 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -103.83 151.51 38.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.887 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 120.97 7.68 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.637 2.224 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.39 165.94 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -143.43 144.34 27.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -171.8 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.309 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -143.88 148.75 43.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.565 0.698 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.84 9.52 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -169.85 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -157.66 172.59 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -174.59 178.37 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 140' ' ' LEU . 3.0 tt -157.99 151.05 22.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -123.75 176.2 16.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -173.29 157.54 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.929 0.395 . . . . 0.0 110.911 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.8 155.62 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.4 -175.17 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.8 t -145.58 166.8 24.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.8 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.833 0.349 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 32.4 t80 -86.8 130.06 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.493 HD12 HG22 ' A' ' 86' ' ' ILE . 13.7 mt -85.58 -178.03 6.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -107.61 -27.89 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -155.95 -177.35 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 2.3 t80 -94.39 120.23 65.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.762 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -45.62 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.415 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 8.6 m -50.41 140.64 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.92 -39.45 2.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -103.9 82.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.99 161.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.545 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 1.8 t30 -131.26 96.49 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.56 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.39 -101.25 1.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.796 ' CD2' HD13 ' A' ' 60' ' ' LEU . 48.7 m-85 -38.75 111.77 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.937 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -144.89 168.74 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' B' ' 19' ' ' GLN . 37.1 mt-30 -114.73 146.69 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' B' ' 18' ' ' GLN . 13.4 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 m -123.88 162.01 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -129.41 14.29 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.75 174.93 13.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -110.6 115.61 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -137.53 125.87 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.17 56.2 0.75 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.1 mt -104.39 152.23 22.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -171.96 137.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -94.88 85.99 4.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -157.67 158.97 36.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m 39.7 40.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.66 115.24 1.4 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.661 0.744 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.74 33.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -94.09 -1.06 54.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -103.86 -11.77 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 2.6 t-80 -44.22 120.51 3.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.09 32.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.493 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 22.7 p -97.26 -28.03 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 9.1 mptt -109.87 152.49 25.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.4 m-85 -154.83 105.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -61.95 122.64 15.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -121.04 165.47 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -135.74 110.29 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.31 130.75 48.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.8 170.72 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.71 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -105.18 -174.98 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.35 -42.97 61.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.27 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.07 0.48 26.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.71 HG22 ' OD1' ' A' ' 27' ' ' ASP . 11.5 m -60.55 165.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -103.75 115.12 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 17.6 mt -92.26 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.54 155.49 23.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.0 p -98.32 144.23 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.74 164.43 31.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -117.97 121.69 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.9 ttm -93.19 134.94 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.19 132.05 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.809 HD11 HG23 ' A' ' 97' ' ' ILE . 8.4 mp -101.85 112.13 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -127.9 139.43 52.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -38.95 -32.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.9 m -66.49 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -170.69 -176.66 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 101' ' ' LEU . 10.1 mt -89.32 132.2 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 56' ' ' ARG . 99.3 t -131.18 138.34 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.726 HD12 ' CH2' ' A' ' 57' ' ' TRP . 12.6 mt -106.81 158.17 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -126.83 119.74 27.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt -121.75 -176.47 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -116.61 -69.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -67.14 -24.21 65.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -112.12 169.16 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.55 171.34 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.52 151.0 30.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.594 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 40.9 t -122.18 154.25 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG2' HG22 ' A' ' 46' ' ' VAL . 28.8 mtt180 -129.8 142.71 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.726 ' CH2' HD12 ' A' ' 47' ' ' LEU . 16.5 m-90 -135.42 114.08 11.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 132.08 22.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.904 ' HA ' HD12 ' A' ' 62' ' ' LEU . 20.7 m-85 -49.86 -18.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' CYS . 5.7 mt -74.97 -73.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 63' ' ' ARG . 90.1 m -37.16 -38.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 59' ' ' TYR . 21.8 mt -40.91 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' CYS . 11.0 mmm180 -59.92 -36.03 76.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.533 ' HB2' HG21 ' B' ' 12' ' ' VAL . 9.1 ptp180 -166.88 149.59 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' C ' HG23 ' B' ' 12' ' ' VAL . 51.4 p90 -143.44 114.86 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.38 -161.55 12.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -162.08 161.34 28.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.0 m-20 -151.23 166.38 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ASP . 5.8 m -36.69 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -123.8 37.35 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.3 tm? -146.82 139.23 24.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.753 ' N ' HD13 ' A' ' 71' ' ' LEU . 45.3 t80 -145.87 121.59 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.0 t -136.32 160.24 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 5.1 p90 -147.99 149.19 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -105.98 166.21 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -148.82 153.53 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.18 -147.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.83 -27.97 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.89 -14.32 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.93 163.12 22.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -59.72 -65.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.1 p -49.83 -33.47 16.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.8 177.79 40.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -51.16 147.06 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.11 149.57 6.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 81.6 mt -98.88 148.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -133.43 124.04 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -107.58 159.99 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 3.5 m-85 -149.95 143.43 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -94.31 139.0 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.87 173.69 14.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.5 p -109.74 -12.53 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HB3' ' NH1' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -120.34 28.38 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -40.03 -49.77 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.485 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 36.0 tt0 -53.43 -53.11 55.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -40.96 -50.12 3.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.809 HG23 HD11 ' A' ' 40' ' ' LEU . 9.8 mt -68.16 -33.36 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -76.89 -19.16 57.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 29.0 m-20 -88.86 -23.93 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.4 tp -94.68 -26.42 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 45' ' ' LEU . 12.4 mt -58.02 -59.29 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 106' ' ' GLN . 17.3 pt20 -59.34 -22.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -30.53 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.7 mt -94.2 -31.47 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 88.7 mtp -72.89 -59.37 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 102' ' ' GLN . 3.2 pp0? -40.91 -38.06 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.2 t -45.28 -43.91 10.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' SER . 76.7 m-20 54.31 45.2 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' ASN . 23.6 m -38.07 127.59 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.421 HG22 ' OD1' ' A' ' 111' ' ' ASN . 5.2 mp -102.94 -54.61 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.421 ' OD1' HG22 ' A' ' 110' ' ' ILE . 17.6 m-20 -120.99 -39.65 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.2 p -43.88 -24.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.2 mmt -114.56 179.23 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.34 118.69 5.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.48 148.69 70.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.639 0.733 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.778 ' HG2' HD11 ' A' ' 118' ' ' ILE . 53.8 Cg_endo -69.78 -176.22 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 69.1 t -84.84 118.07 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.778 HD11 ' HG2' ' A' ' 116' ' ' PRO . 4.8 mp -130.1 157.19 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.507 ' N ' HG22 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -83.52 140.46 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.0 t -126.95 167.12 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -102.11 79.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 46.58 45.08 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.9 m -144.98 114.63 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -134.94 144.06 48.79 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 162.21 43.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -87.08 82.17 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.06 105.48 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.7 tt -165.23 141.12 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.02 158.9 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.2 pp -118.79 123.02 29.34 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -169.88 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.286 . . . . 0.0 112.338 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.433 ' C ' ' CD ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -119.16 177.86 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -100.2 134.19 20.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.59 3.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.461 ' CG ' ' HD2' ' A' ' 136' ' ' PRO . 30.4 tt0 -146.34 140.95 15.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 135' ' ' GLN . 53.3 Cg_endo -69.76 116.32 4.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.346 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.03 1.69 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -126.08 175.65 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -157.71 175.4 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.496 HD23 ' C ' ' A' ' 140' ' ' LEU . 5.0 tt -156.96 151.6 25.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -143.0 -175.38 16.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -156.72 151.14 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.0 0.428 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.8 p -129.72 165.95 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.3 p -131.89 147.13 32.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.6 m -118.81 173.83 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.602 HD11 ' CZ2' ' A' ' 57' ' ' TRP . 4.3 mm? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.855 0.36 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 18.7 t80 -50.75 121.9 6.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -74.14 127.36 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 mt -100.33 178.56 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.94 -35.13 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -123.15 175.08 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 1.8 t80 -109.96 111.68 58.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' B' ' 9' ' ' CYS . 53.9 Cg_endo -69.68 -40.96 4.82 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.485 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 79.9 m -36.85 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.55 -67.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -83.61 59.42 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.533 HG21 ' HB2' ' A' ' 64' ' ' ARG . 7.4 p -70.66 143.91 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' B' ' 14' ' ' TYR . 6.0 t30 -107.71 77.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' B' ' 13' ' ' ASN . 25.1 m-85 -36.21 134.27 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.35 -172.46 13.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 42.09 38.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.937 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -142.16 140.4 32.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -98.17 147.47 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.926 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -117.59 -48.67 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -118.29 132.57 56.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.82 -142.72 9.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -105.45 124.05 48.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 p -118.6 -51.41 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.85 -153.25 23.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.27 123.95 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -118.25 106.67 13.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.45 117.38 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -105.11 118.49 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.2 p -76.49 110.72 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 13' ' ' VAL . 12.1 p -140.59 120.26 8.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.87 68.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.62 -1.61 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -127.1 31.66 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -62.17 139.48 96.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.72 27.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 p -106.08 -22.78 12.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -117.12 138.53 51.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -135.58 105.53 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -68.39 105.13 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.68 168.79 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 m -133.42 105.95 7.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 128.65 38.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' VAL . 27.2 m -128.92 173.95 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.627 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -104.09 -174.6 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -41.98 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.63 -35.97 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.95 24.17 5.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 26' ' ' VAL . 13.5 m -83.73 164.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -98.09 109.33 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.7 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.2 155.56 26.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -87.45 158.29 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.38 165.06 35.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.2 t -121.44 120.88 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.439 ' CE ' HD21 ' A' ' 47' ' ' LEU . 18.9 ttm -98.76 137.26 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.647 ' O ' HD23 ' A' ' 45' ' ' LEU . 40.8 tt0 -117.96 130.61 56.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.749 HD11 HG23 ' A' ' 97' ' ' ILE . 6.5 mp -106.54 91.13 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -127.41 141.25 51.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 68.4 mm-40 -35.15 -45.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -47.59 -71.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -174.25 175.11 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 62' ' ' LEU . 8.7 mt -87.57 134.23 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.02 142.31 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.966 HD12 ' CH2' ' A' ' 57' ' ' TRP . 15.4 mt -122.36 125.63 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -104.87 100.09 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -133.11 83.31 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ARG . 13.5 p-80 -36.81 -35.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' HIS . 10.9 mmm180 -34.18 -55.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -117.61 -74.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -174.83 174.2 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.15 152.76 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HB ' ' CH2' ' A' ' 57' ' ' TRP . 5.1 t -142.24 146.24 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -120.05 147.82 44.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.966 ' CH2' HD12 ' A' ' 47' ' ' LEU . 25.9 m-90 -135.73 112.09 10.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.79 117.82 5.31 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' HD1' HD12 ' A' ' 62' ' ' LEU . 17.0 m-85 -38.97 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.639 HD12 ' HG3' ' A' ' 113' ' ' MET . 4.8 mt -58.55 -50.73 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.7 p -63.82 -34.46 77.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.66 HD11 HD12 ' A' ' 45' ' ' LEU . 16.8 mt -59.78 108.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 ttt85 -111.3 -54.08 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HD2' ' CD2' ' B' ' 7' ' ' PHE . 4.0 ttp180 -105.82 105.63 15.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 35.0 p90 -135.57 115.39 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 -153.62 8.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -158.37 174.49 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -172.08 -175.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 104.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 6.5 t30 52.31 36.62 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.657 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.8 OUTLIER -145.84 133.45 20.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.657 ' N ' HD13 ' A' ' 71' ' ' LEU . 68.3 t80 -146.03 118.64 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -132.93 166.74 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -157.3 160.96 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -97.22 166.36 11.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 t -152.83 145.5 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -77.33 -151.75 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -28.46 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -63.38 -15.16 56.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.8 p -78.33 163.5 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -53.82 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.513 ' CG2' HG11 ' A' ' 55' ' ' VAL . 73.8 p -50.47 -53.42 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.0 175.21 26.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.7 mt-30 -41.23 149.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.41 141.31 4.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.436 HG22 HD12 ' B' ' 4' ' ' LEU . 77.2 mt -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.01 126.18 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.507 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -106.65 158.8 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -150.23 140.65 22.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -93.3 127.97 39.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 p -162.02 128.39 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -64.35 -11.15 29.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -111.32 31.08 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.4 -51.5 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 13.0 tt0 -53.88 -54.26 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.37 -53.13 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.749 HG23 HD11 ' A' ' 40' ' ' LEU . 10.6 mt -63.97 -35.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -23.55 59.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 83.1 m-20 -86.77 -22.87 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.5 tp -93.98 -30.92 14.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.644 HD21 HD11 ' A' ' 45' ' ' LEU . 10.6 mt -56.65 -60.43 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -54.66 -29.63 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -39.18 90.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.79 -26.45 44.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 10.5 mmm -75.37 -48.48 22.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.54 -32.4 69.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.2 t -44.44 -41.12 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -174.19 114.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.3 t -121.28 35.1 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 111' ' ' ASN . 5.4 mp -102.79 75.71 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER 34.35 54.08 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.3 m -87.03 23.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.639 ' HG3' HD12 ' A' ' 60' ' ' LEU . 5.9 mmt -112.73 46.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -104.12 49.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -139.56 150.47 63.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 164.8 33.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.84 109.32 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 120' ' ' THR . 5.0 mp -111.02 133.77 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.5 pt -61.09 76.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.659 HG22 ' H ' ' A' ' 122' ' ' ASN . 10.8 m -81.76 144.59 30.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' SER . 0.3 OUTLIER -129.47 16.34 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.659 ' H ' HG22 ' A' ' 120' ' ' THR . 8.6 t-20 -56.55 87.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' ARG . 6.8 t -106.94 82.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -73.75 113.24 21.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 162.65 41.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -157.66 125.48 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.417 ' O ' ' CD ' ' A' ' 127' ' ' GLU . 1.7 pp20? -47.62 138.0 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.589 ' C ' HD12 ' A' ' 128' ' ' LEU . 4.1 pp -111.25 176.89 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -130.31 153.98 48.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.1 pp -104.69 141.12 21.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 179.14 3.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -152.28 174.7 13.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -122.93 124.08 26.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.228 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -143.46 126.37 8.88 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.557 0.694 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 128.53 16.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -173.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -174.33 134.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -163.36 -177.82 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -107.39 83.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 62.44 92.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.548 ' O ' ' CD1' ' A' ' 142' ' ' TYR . 53.3 p90 -90.92 111.08 22.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.403 . . . . 0.0 110.929 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.0 m -164.26 108.56 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.2 m -147.53 157.97 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -136.82 142.34 42.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.821 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 14.7 t80 -94.95 127.97 41.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.472 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 11.5 ptp180 -78.22 127.58 32.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 88' ' ' ALA . 31.4 mt -104.25 166.77 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -102.59 -41.26 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -128.3 168.98 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.462 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 2.2 t80 -89.61 117.52 68.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.651 0.738 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.35 8.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' B' ' 10' ' ' GLY . 2.9 t -117.37 160.58 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.49 ' N ' ' SG ' ' B' ' 9' ' ' CYS . . . -129.96 -24.75 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.86 53.26 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.92 150.25 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.2 t-20 -124.23 77.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -46.71 144.15 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' B' ' 16' ' ' TYR . . . -129.25 -159.15 9.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' B' ' 15' ' ' GLY . 4.9 m-85 35.3 44.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -78.94 131.31 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -121.49 155.23 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -156.08 168.54 26.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -173.05 161.81 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.27 143.4 15.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -119.82 126.1 50.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 p -130.39 142.13 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.21 152.22 21.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -170.37 164.0 8.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -138.83 109.62 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -143.59 139.17 29.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -117.2 82.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 t -170.51 115.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -127.64 111.16 20.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 171.04 15.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.96 8.28 30.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.7 8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.476 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -44.99 139.26 3.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.331 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 p -95.55 -24.73 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -116.42 144.99 43.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -140.22 105.1 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -70.45 115.26 9.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -112.62 165.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 26' ' ' VAL . 58.5 m -134.8 99.18 4.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -53.2 130.75 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 24' ' ' THR . 33.4 m -130.33 173.88 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.691 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.4 p-10 -104.05 -178.13 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.93 -45.49 51.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.71 -41.11 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.06 3.28 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.691 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.5 m -66.15 164.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -100.22 117.09 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.8 mt -100.43 -64.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.72 124.28 3.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -84.15 140.17 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.09 170.88 28.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -117.07 123.79 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.525 ' CG ' HD22 ' A' ' 45' ' ' LEU . 37.2 tpp -95.87 131.51 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HG2' HG23 ' A' ' 41' ' ' THR . 20.3 tt0 -115.55 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.743 HD11 HG23 ' A' ' 97' ' ' ILE . 8.0 mp -98.87 95.33 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 39' ' ' GLU . 76.2 p -112.38 137.41 50.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.4 mp0 -37.74 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.5 t -69.38 -67.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -170.39 -179.04 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 101' ' ' LEU . 8.3 mt -88.28 130.17 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 56' ' ' ARG . 98.5 t -129.74 142.48 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' A' ' 54' ' ' ALA . 23.8 mt -105.16 160.78 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.546 ' C ' HD12 ' A' ' 49' ' ' LEU . 95.5 m-70 -131.92 103.02 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 49' ' ' LEU . 5.1 mp -116.28 152.44 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.457 ' CG ' ' N ' ' A' ' 51' ' ' ARG . 1.4 t-80 -88.13 -72.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 50' ' ' HIS . 28.5 mmt180 -56.96 -54.91 41.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -86.87 171.1 11.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.65 173.69 11.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . -90.8 159.07 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.571 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 7.6 t -128.34 151.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HG2' HG22 ' A' ' 46' ' ' VAL . 8.9 mtp85 -130.76 134.94 47.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.571 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 21.7 m-90 -127.12 112.95 21.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.74 121.13 7.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.638 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.0 m-85 -39.45 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.601 HD22 ' CE2' ' B' ' 16' ' ' TYR . 4.0 mm? -67.64 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.3 m -49.28 -32.18 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 59' ' ' TYR . 10.8 mt -56.22 99.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -69.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.75 ' HB2' HG21 ' B' ' 12' ' ' VAL . 14.1 ptt180 -127.16 160.74 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 8.0 p90 -144.84 119.43 9.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.73 -174.19 20.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.35 174.81 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -173.43 173.89 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 p -51.19 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -125.33 35.91 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.7 OUTLIER -145.17 132.35 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.734 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.0 t80 -143.25 110.51 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -130.4 161.89 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -152.04 142.98 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -104.39 147.19 27.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -145.34 152.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.64 -166.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -100.51 -15.9 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' N ' ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -64.34 -12.95 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -80.17 171.45 15.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -58.75 -68.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.535 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 32.0 p -46.1 -39.64 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 169.34 43.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.413 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 14.5 pt20 -40.53 116.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.82 143.26 3.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.548 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.502 HG22 HD12 ' B' ' 4' ' ' LEU . 42.7 mt -94.97 152.29 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 20.1 m-85 -140.54 123.71 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.504 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -104.3 156.88 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 12.6 m-85 -150.7 135.22 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -84.45 129.0 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.42 116.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -60.27 -14.8 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.423 ' NE ' ' HG2' ' A' ' 96' ' ' GLU . 12.7 tpt180 -99.25 29.16 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -62.16 -67.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 8.8 tt0 -33.18 -62.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HG2' ' NE ' ' A' ' 93' ' ' ARG . 1.2 mp0 -38.38 -53.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.743 HG23 HD11 ' A' ' 40' ' ' LEU . 21.0 mt -61.67 -33.24 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -76.58 -18.59 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -92.27 -22.99 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 100' ' ' LEU . 1.8 tt -93.46 -32.48 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 45' ' ' LEU . 11.2 mt -57.64 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -49.22 -29.63 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.43 -33.6 74.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.4 mt -89.84 -32.38 16.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.4 mmm -55.03 -49.89 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -34.12 6.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.06 -36.73 8.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 55.72 50.76 13.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -64.33 128.62 36.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.67 HG22 ' OD1' ' A' ' 111' ' ' ASN . 13.9 mm -115.84 105.42 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.67 ' OD1' HG22 ' A' ' 110' ' ' ILE . 1.8 p-10 37.75 40.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.475 HG23 ' N ' ' A' ' 113' ' ' MET . 32.7 m -78.57 -43.07 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.475 ' N ' HG23 ' A' ' 112' ' ' VAL . 32.3 mtp -109.75 175.48 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.43 110.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.03 142.71 30.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.622 0.725 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.669 ' O ' HD12 ' A' ' 118' ' ' ILE . 53.6 Cg_endo -69.77 -172.98 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.97 129.16 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 116' ' ' PRO . 5.4 mp -121.45 158.46 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.53 ' N ' HG22 ' A' ' 118' ' ' ILE . 7.8 pt -83.43 38.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 39.9 p -143.48 171.35 14.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -63.2 101.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -171.76 148.41 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.2 t -47.24 143.1 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -134.06 120.88 15.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 175.75 7.64 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.4 176.05 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -109.82 -179.58 3.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.1 mt -116.86 -178.68 3.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -127.92 -175.74 3.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 130' ' ' LEU . 2.5 pp -114.53 152.62 46.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -177.6 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 0.0 112.38 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -135.35 135.88 41.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.45 144.64 49.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -165.56 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -141.55 148.52 50.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.75 33.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.86 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -145.21 179.29 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -154.19 177.17 11.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.9 tp -164.45 106.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -86.71 -176.63 49.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -143.08 163.03 33.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.878 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 144' ' ' VAL . 9.1 m -143.27 161.04 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.462 ' N ' HG22 ' A' ' 143' ' ' THR . 11.9 p -133.01 153.06 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 73.5 m -115.33 179.18 4.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.862 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.403 HD23 ' CG ' ' A' ' 87' ' ' PHE . 6.8 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.875 0.369 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.9 t80 -113.34 136.99 52.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -87.21 115.15 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.502 HD12 HG22 ' A' ' 86' ' ' ILE . 12.9 mt -88.54 167.62 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -110.55 -42.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -127.2 150.0 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.428 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 1.9 t80 -72.86 117.25 58.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -42.3 3.55 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 85.3 m -83.6 98.66 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.41 -43.52 87.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.79 89.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.75 HG21 ' HB2' ' A' ' 64' ' ' ARG . 12.0 p -113.57 151.06 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.572 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 24.1 p-10 -126.8 94.71 4.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -47.2 137.68 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.07 -69.89 0.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.601 ' CE2' HD22 ' A' ' 60' ' ' LEU . 9.7 m-85 -81.39 118.57 22.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 0.0 110.945 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.96 176.41 8.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -97.26 80.21 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -158.47 129.31 6.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -113.19 135.34 53.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.03 175.4 44.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -150.87 168.07 25.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -146.95 132.36 18.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.56 169.57 32.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.434 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 140.21 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -98.87 42.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -94.05 39.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.6 125.51 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.4 m -57.09 122.21 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 13' ' ' VAL . 3.1 p -39.8 113.66 0.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -164.0 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.228 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -121.17 13.74 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -125.58 0.26 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -43.79 133.45 3.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -18.94 36.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.8 p -113.02 -29.04 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -108.06 130.72 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CD1' HG12 ' A' ' 97' ' ' ILE . 40.6 m-85 -130.74 108.08 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.64 ' HG2' HG22 ' A' ' 37' ' ' VAL . 22.7 mttm -63.24 110.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -105.91 174.03 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 86.9 m -136.61 109.32 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.19 118.27 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.574 HG11 ' HD2' ' A' ' 90' ' ' LYS . 26.9 m -122.12 173.53 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.899 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.7 p-10 -108.26 -176.61 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -40.08 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.75 -34.27 76.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.56 8.22 23.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.899 HG22 ' OD1' ' A' ' 27' ' ' ASP . 10.6 m -69.62 164.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -101.8 113.28 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -94.21 -57.6 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.08 144.74 13.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -86.42 145.09 26.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.47 169.52 31.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.64 HG22 ' HG2' ' A' ' 22' ' ' LYS . 84.3 t -125.5 123.46 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.6 tpp -94.91 133.92 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -121.06 133.58 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 97' ' ' ILE . 7.8 mp -102.66 125.15 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -139.4 151.51 46.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -54.17 -14.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.95 -64.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.91 -178.46 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 101' ' ' LEU . 11.6 mt -88.7 141.78 28.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.74 149.66 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.584 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 12.5 mt -122.83 147.08 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.475 ' C ' HD12 ' A' ' 49' ' ' LEU . 97.2 m-70 -124.52 116.02 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD12 ' C ' ' A' ' 48' ' ' HIS . 6.8 mp -129.68 121.7 27.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -62.18 -21.42 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -95.14 -52.51 4.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -89.8 -177.19 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.62 178.42 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.92 113.56 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 t -105.4 146.68 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.26 161.02 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.584 ' CZ3' HD12 ' A' ' 47' ' ' LEU . 19.9 m-90 -146.52 113.81 4.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 131.01 20.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' HA ' HD12 ' A' ' 62' ' ' LEU . 24.2 m-85 -48.46 -27.84 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.32 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.7 p -53.61 -38.96 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 59' ' ' TYR . 35.6 mt -47.49 88.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.4 mmm-85 -53.8 -40.75 66.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -156.96 156.8 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.447 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 43.7 p90 -147.09 109.23 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.45 -158.56 11.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -167.23 170.51 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -172.71 163.26 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' LEU . 46.2 t -42.55 129.01 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 69' ' ' SER . 33.2 t30 32.87 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.3 tm? -153.27 126.47 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.434 ' N ' HD13 ' A' ' 71' ' ' LEU . 12.9 t80 -145.99 117.97 8.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.1 t -131.04 167.32 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -152.8 142.05 21.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -98.6 154.87 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -149.56 145.29 26.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.03 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 5.1 ppt_? -105.45 -17.04 14.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -67.6 -12.81 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' GLN . 7.5 p -78.31 145.81 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' CYS . 14.0 tt0 -34.53 -70.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 71.5 p -46.1 -56.75 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 119.61 -173.92 15.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -57.95 132.33 53.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.0 148.93 4.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.1 mt -100.93 149.88 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.371 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CD2' HD12 ' B' ' 1' ' ' LEU . 2.7 m-85 -136.79 135.57 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.1 148.65 42.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -141.42 137.23 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.574 ' HD2' HG11 ' A' ' 26' ' ' VAL . 73.3 mttt -84.46 147.33 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.0 178.56 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -111.63 -21.89 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -118.8 45.56 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.76 79.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.88 -53.56 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -44.2 -45.22 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.635 HG23 HD11 ' A' ' 40' ' ' LEU . 11.0 mt -71.7 -34.18 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -76.84 -20.81 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -90.01 -22.58 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 tt -90.95 -38.99 12.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.491 HD21 HD11 ' A' ' 45' ' ' LEU . 12.1 mt -50.66 -53.57 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -63.75 -13.88 47.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -83.16 -30.92 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.97 -32.83 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 81.6 mtp -73.15 -39.06 65.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -54.23 -26.37 28.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.6 t -66.22 -40.41 90.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 56.96 29.46 16.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.807 ' O ' HG22 ' A' ' 112' ' ' VAL . 28.6 t -44.72 131.27 6.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.4 mp -90.41 -34.5 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.17 -9.05 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 109' ' ' SER . 34.4 m -84.76 -8.59 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.731 ' HG3' HG23 ' A' ' 112' ' ' VAL . 20.5 mtt -140.11 174.08 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.72 -178.36 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -52.34 138.93 37.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.63 0.728 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.71 57.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 6.6 p -99.75 129.25 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.91 116.18 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.0 mt -72.38 140.36 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 t -86.37 -39.23 16.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -84.48 130.62 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -170.27 160.1 7.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -175.08 156.39 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -146.39 142.56 17.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.72 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 172.52 12.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -131.93 131.31 42.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -142.67 160.33 40.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 tp -168.31 149.23 4.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.94 168.24 9.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.1 pp -124.15 137.36 28.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.705 . . . . 0.0 110.892 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -176.28 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -175.25 158.43 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -173.11 130.86 0.58 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.391 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -145.76 106.87 4.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 126.81 13.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.272 . . . . 0.0 112.369 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -168.57 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -175.27 152.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -173.07 140.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 16.4 tp -174.85 129.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -142.48 153.16 24.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -171.43 140.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 110.915 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 74.6 p -119.91 119.22 32.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 144' ' ' VAL . 2.3 m -91.1 -178.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 69.5 m -131.72 131.77 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.804 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 87' ' ' PHE . 4.1 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.811 0.338 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 47.9 t80 -91.12 131.77 36.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -83.95 114.41 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.47 168.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -104.2 -34.4 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.28 173.01 12.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.5 t80 -83.03 119.5 74.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.722 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -5.09 15.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.473 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.5 t -111.08 158.92 18.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.14 -26.15 1.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -99.97 82.55 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 65' ' ' TYR . 13.9 p -105.74 151.38 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.7 t30 -120.54 86.45 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' B' ' 19' ' ' GLN . 13.2 m-85 -39.05 151.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.87 -91.08 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -51.02 -50.2 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -72.21 109.62 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -82.58 43.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.572 ' HG2' ' CD2' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -137.92 150.38 47.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -167.68 112.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.52 124.02 4.74 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -98.7 105.41 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -127.01 151.92 47.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.9 -157.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.7 158.24 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' ARG . 2.3 p30 -117.14 116.96 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -36.64 152.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -164.38 120.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.77 42.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG11 ' CB ' ' A' ' 20' ' ' LYS . 25.3 t -62.5 130.55 93.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.56 57.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.14 -5.46 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -128.54 41.94 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 1.8 t-80 -75.57 134.95 72.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.75 -22.18 32.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.546 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 25.7 p -107.57 -27.72 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 1.6 mppt? -113.31 159.21 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.5 m-85 -157.03 105.02 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.6 ' HG3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.44 143.49 34.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.64 174.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.464 ' O ' HG13 ' A' ' 26' ' ' VAL . 60.0 m -150.35 116.7 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' B' ' 1' ' ' LEU . 15.5 t-20 -63.42 107.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 24' ' ' THR . 16.2 m -112.19 163.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.726 ' OD1' HG22 ' A' ' 31' ' ' VAL . 22.2 p-10 -102.33 -176.45 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.54 ' OD1' HD23 ' B' ' 4' ' ' LEU . 3.4 m-20 -47.0 -49.42 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.65 -32.92 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 0.04 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.726 HG22 ' OD1' ' A' ' 27' ' ' ASP . 18.4 m -58.54 164.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG2' HG21 ' A' ' 24' ' ' THR . 25.9 mt-10 -95.5 103.53 15.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' B' ' 2' ' ' PHE . 24.0 mt -80.63 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.79 131.71 5.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 p -86.98 134.7 33.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.35 168.11 35.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.6 HG22 ' HG3' ' A' ' 22' ' ' LYS . 59.4 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.531 ' CG ' HD22 ' A' ' 45' ' ' LEU . 22.8 tpp -86.11 128.44 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.555 ' HG2' HG23 ' A' ' 41' ' ' THR . 43.5 tt0 -114.17 130.65 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.796 HD11 HG23 ' A' ' 97' ' ' ILE . 9.1 mp -99.72 88.47 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' HG2' ' A' ' 39' ' ' GLU . 18.3 p -108.01 135.18 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.2 mp0 -36.04 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 41' ' ' THR . 18.7 m -66.97 -65.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -172.82 -177.68 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.548 HD11 HD21 ' A' ' 101' ' ' LEU . 11.3 mt -88.85 116.1 26.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.753 HG22 ' HG2' ' A' ' 56' ' ' ARG . 88.6 t -118.25 137.78 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.91 147.06 26.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.94 116.8 26.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 52' ' ' ARG . 7.9 mp -116.27 -174.79 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -105.04 105.24 15.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.75 31.16 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 49' ' ' LEU . 21.4 mmt180 -120.87 -177.54 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -83.48 142.47 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.16 117.92 30.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.482 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 11.0 t -93.49 143.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.753 ' HG2' HG22 ' A' ' 46' ' ' VAL . 56.4 mtt180 -126.69 149.51 49.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.482 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.6 m-90 -138.26 112.55 8.69 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 125.11 11.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.98 -21.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.527 ' HA ' ' CD2' ' B' ' 16' ' ' TYR . 1.3 mt -64.96 -48.1 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.73 -33.83 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 62' ' ' LEU . 10.7 mt -57.29 90.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -80.66 -53.87 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.84 ' HG3' HG21 ' B' ' 12' ' ' VAL . 59.5 ttp180 -120.45 127.6 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.608 ' O ' HG23 ' B' ' 12' ' ' VAL . 18.1 p90 -139.48 117.32 11.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.01 -164.63 17.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -165.76 149.07 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -141.71 169.24 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -43.56 -65.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -125.07 37.35 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -151.8 120.73 6.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.505 ' N ' HD13 ' A' ' 71' ' ' LEU . 13.1 t80 -131.21 106.01 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.1 t -119.18 160.18 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.49 139.56 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.97 157.09 16.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 m -152.67 152.15 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.39 -150.44 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.69 -31.73 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -48.52 -26.23 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.0 p -67.67 166.58 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -58.76 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.449 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 29.8 p -49.82 -46.36 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.41 -179.76 22.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.64 158.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.16 149.83 9.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -90.71 145.54 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' B' ' 1' ' ' LEU . 82.5 m-85 -126.86 118.33 24.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -99.34 157.12 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' CZ ' HD13 ' B' ' 1' ' ' LEU . 62.3 m-85 -153.05 135.89 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -86.12 119.45 26.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.0 t -138.5 167.71 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -100.54 -47.07 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -98.02 53.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -55.2 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 98' ' ' PHE . 12.1 tt0 -35.12 -61.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 95' ' ' GLU . 6.0 mm-40 -37.39 -57.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.796 HG23 HD11 ' A' ' 40' ' ' LEU . 16.4 mt -58.5 -32.08 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.24 -32.36 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -83.44 -26.28 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 100' ' ' LEU . 2.2 tt -85.78 -36.65 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.548 HD21 HD11 ' A' ' 45' ' ' LEU . 11.2 mt -47.45 -68.53 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -39.65 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.32 -37.16 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.472 HD11 HD22 ' A' ' 100' ' ' LEU . 34.0 mt -85.64 -33.97 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.6 mtp -49.95 -35.39 23.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -72.93 -36.26 67.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.582 ' O ' HD11 ' A' ' 110' ' ' ILE . 6.5 t -75.93 -29.92 58.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -52.46 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 m 64.54 54.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.582 HD11 ' O ' ' A' ' 107' ' ' CYS . 5.1 mp -103.05 78.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 42.69 52.26 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 m -46.68 -26.33 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 14.5 mmt -44.05 102.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' GLU . 7.7 tt0 -157.26 153.02 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' GLU . 6.8 pt-20 -34.59 151.58 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -174.09 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.7 t -141.92 136.69 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 118' ' ' ILE . 4.5 mp -88.83 145.68 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.4 pt -92.88 144.37 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.8 p -93.64 176.16 6.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 tpp85 -53.09 122.51 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -76.83 132.22 39.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.5 t -67.36 176.21 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -84.76 139.14 37.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.537 0.685 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -175.08 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -140.39 170.14 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.55 154.42 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -132.89 152.3 51.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.905 ' N ' HD22 ' A' ' 128' ' ' LEU . 5.3 t70 -119.44 152.37 36.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.9 pp -99.35 139.2 20.75 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -178.31 2.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -123.1 152.43 41.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.77 134.73 36.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.01 2.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -141.02 139.47 19.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 120.24 7.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.272 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.54 7.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.631 2.221 . . . . 0.0 112.344 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -124.29 116.98 23.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -117.6 176.74 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.543 ' C ' HD12 ' A' ' 140' ' ' LEU . 4.1 pp -103.33 163.64 12.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.415 ' O ' HD12 ' A' ' 140' ' ' LEU . . . -94.3 -108.23 2.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.496 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -138.27 159.79 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.985 0.421 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.619 ' O ' HG22 ' A' ' 143' ' ' THR . 24.8 m -105.65 38.4 1.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.1 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.637 ' O ' HG12 ' A' ' 144' ' ' VAL . 24.8 t 39.75 38.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.4 m -98.87 100.58 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 87' ' ' PHE . 15.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' B' ' 3' ' ' ARG . 56.5 t80 -175.04 160.87 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.658 ' N ' ' HE ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.35 119.85 39.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 88' ' ' ALA . 11.6 mt -91.53 167.77 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -104.35 -42.46 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -137.62 157.92 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -76.09 116.85 59.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -63.82 155.81 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.32 -67.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.48 98.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.382 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.84 HG21 ' HG3' ' A' ' 64' ' ' ARG . 2.6 p -120.75 133.01 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.523 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 5.8 t30 -110.8 80.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' B' ' 13' ' ' ASN . 33.4 m-85 -35.78 144.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.06 -95.15 1.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.527 ' CD2' ' HA ' ' A' ' 60' ' ' LEU . 8.6 m-85 -66.56 77.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.34 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -115.33 143.21 45.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -54.81 120.83 7.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -167.24 137.46 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -159.5 173.22 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.97 136.49 3.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -173.25 150.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -143.25 176.37 9.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.9 175.64 22.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -152.13 174.37 13.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -162.17 144.84 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -133.43 172.17 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -109.73 -58.45 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.9 t -108.78 138.91 44.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -44.09 112.62 1.4 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 159.68 52.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.411 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.85 1.68 14.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -132.09 35.21 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -67.25 139.45 94.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.8 -28.7 24.72 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.0 p -98.12 -33.33 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 151.41 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -145.62 105.87 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -67.36 119.9 12.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.77 166.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -131.36 117.33 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.5 106.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 32' ' ' GLU . 33.3 m -120.44 164.48 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.52 -174.02 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.649 ' HA ' HD21 ' B' ' 4' ' ' LEU . 18.2 t70 -52.48 -48.8 65.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.65 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.25 1.83 4.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 26' ' ' VAL . 2.8 t -54.09 154.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.483 ' HA ' HG12 ' A' ' 26' ' ' VAL . 48.0 mt-10 -103.72 107.15 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.31 -63.96 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.16 171.44 23.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -106.72 151.56 24.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.22 163.6 35.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.07 121.32 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.524 ' CG ' HD22 ' A' ' 45' ' ' LEU . 34.1 tpp -92.0 130.26 37.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' HG2' HG23 ' A' ' 41' ' ' THR . 51.6 tt0 -112.26 131.48 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.699 HD11 HG23 ' A' ' 97' ' ' ILE . 8.2 mp -99.43 92.86 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 39' ' ' GLU . 77.7 p -113.2 134.86 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' THR . 15.6 mm-40 -34.77 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' THR . 16.7 t -62.97 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -171.8 179.1 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.02 HD11 HD21 ' A' ' 101' ' ' LEU . 12.8 mt -87.6 130.76 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -134.3 142.36 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.3 mt -104.04 165.81 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -133.54 109.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -127.09 177.81 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.631 ' CD2' ' HG2' ' A' ' 51' ' ' ARG . 2.5 p-80 -113.54 -69.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.631 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 13.7 mmm180 -59.04 -34.74 72.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -98.02 175.78 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.622 ' O ' HD13 ' A' ' 49' ' ' LEU . 21.3 mm-40 -90.51 179.08 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.69 119.28 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.429 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 41.4 t -101.69 134.04 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -123.35 170.06 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.518 ' CZ2' HG21 ' A' ' 82' ' ' THR . 7.3 m-90 -155.53 112.64 2.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.609 0.718 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.76 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' PRO . 24.3 m-85 -34.81 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 2.0 tt -54.59 -61.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 p -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 84.1 mt -59.51 80.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 70.8 mtt180 -82.45 -54.8 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.985 ' HG3' HG21 ' B' ' 12' ' ' VAL . 48.3 ttp180 -104.98 118.11 35.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.573 ' O ' HG23 ' B' ' 12' ' ' VAL . 24.3 p90 -138.41 118.27 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.65 -160.24 14.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -164.32 175.09 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -169.27 169.07 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -40.5 -63.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -132.16 43.43 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.1 tm? -150.44 125.52 9.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.6 ' N ' HD13 ' A' ' 71' ' ' LEU . 21.3 t80 -134.84 115.3 13.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.0 t -129.26 167.07 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -156.31 154.23 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.633 ' OE2' HD11 ' A' ' 86' ' ' ILE . 4.1 mm-40 -97.12 162.41 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 98.7 p -152.89 135.82 15.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.33 -127.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -128.4 -47.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -49.59 -23.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.8 p -63.41 174.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.826 ' OE1' HG23 ' A' ' 82' ' ' THR . 4.6 tm0? -68.34 -62.05 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.826 HG23 ' OE1' ' A' ' 81' ' ' GLN . 6.8 p -56.85 -36.08 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 77.37 171.03 35.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' GLY . 38.6 mt-30 -33.74 133.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.22 133.61 3.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.633 HD11 ' OE2' ' A' ' 75' ' ' GLU . 70.7 mt -91.03 145.99 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.87 122.74 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.34 145.22 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 89' ' ' PHE . 1.9 m-85 -137.68 146.63 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -90.71 115.24 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.1 t -130.96 151.37 51.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -80.58 -35.34 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -110.82 46.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.19 -55.01 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 10.1 tt0 -47.9 -57.78 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.26 -55.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.699 HG23 HD11 ' A' ' 40' ' ' LEU . 13.4 mt -59.87 -32.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -75.5 -25.6 57.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -88.91 -24.61 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 100' ' ' LEU . 2.4 tt -91.34 -30.72 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.02 HD21 HD11 ' A' ' 45' ' ' LEU . 10.9 mt -55.24 -64.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -49.91 -33.68 18.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.57 -37.06 77.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.9 mt -88.88 -41.4 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 61.3 mtp -51.6 -51.0 59.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.39 -42.8 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.4 t -47.06 -41.6 17.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' SER . 89.2 m-20 54.92 40.42 31.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' ASN . 31.3 p -34.85 119.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.2 mp -97.68 -54.93 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -51.41 -36.35 43.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.03 -21.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 10.2 mtt -71.32 155.18 40.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' GLU . 3.2 pp20? -57.9 177.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLU . 35.6 mm-40 -37.7 149.85 0.18 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.724 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 152.39 69.0 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.6 t -140.75 116.61 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.598 ' H ' HD12 ' A' ' 118' ' ' ILE . 4.7 mp -71.61 127.93 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.43 147.36 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 120' ' ' THR . 14.1 t -45.59 118.58 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -77.37 151.21 34.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -139.72 177.59 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.9 p -50.98 173.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -173.06 139.0 0.85 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.553 0.692 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -176.12 1.38 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.365 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -151.5 154.1 35.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -84.92 177.58 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 128' ' ' LEU . 3.7 pp -127.89 162.39 26.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.41 -179.57 3.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 pp -119.03 152.15 51.49 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -167.26 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.309 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.85 175.41 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -120.69 152.37 55.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.699 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -176.98 1.68 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -143.34 122.99 7.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 160.18 50.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.632 2.222 . . . . 0.0 112.336 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -173.37 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -135.64 176.27 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.28 170.5 11.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.7 tp -146.37 134.86 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -77.89 -148.25 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -171.03 167.81 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.933 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.2 t -153.91 169.6 23.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.515 HG22 ' N ' ' A' ' 145' ' ' SER . 14.5 p -157.02 160.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.515 ' N ' HG22 ' A' ' 144' ' ' VAL . 2.1 t -150.25 152.56 34.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.816 -179.769 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -92.02 133.43 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -94.43 116.85 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.649 HD21 ' HA ' ' A' ' 28' ' ' ASP . 14.2 mt -84.42 171.6 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -113.3 -43.01 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -123.89 148.9 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.8 114.99 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.76 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -62.08 146.44 50.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.43 0.53 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.09 92.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.985 HG21 ' HG3' ' A' ' 64' ' ' ARG . 6.2 p -114.47 140.38 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.464 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 4.0 t30 -121.49 84.16 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' B' ' 13' ' ' ASN . 42.7 m-85 -36.33 145.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.68 -61.91 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.53 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 5.6 m-85 -83.86 45.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' B' ' 16' ' ' TYR . 21.3 mp0 -154.6 110.32 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -116.84 147.78 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -167.23 136.47 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -83.74 176.85 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.94 -153.37 5.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 m -151.39 143.74 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -139.76 149.2 43.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.12 151.52 5.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.529 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.08 137.44 45.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 110.938 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -124.76 97.0 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -121.93 89.54 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -150.47 150.08 30.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -51.93 169.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 13' ' ' VAL . 13.8 p -47.9 118.2 6.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.11 69.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.373 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.23 1.98 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -131.17 34.82 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.529 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 1.8 t-80 -68.77 136.56 90.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.557 0.694 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -31.6 20.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.454 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 41.4 p -100.28 -21.05 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -116.33 135.93 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -139.73 107.39 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -69.19 123.29 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.92 -175.39 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 26' ' ' VAL . 97.9 m -151.98 106.03 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -51.45 128.64 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 24' ' ' THR . 34.5 m -133.59 167.03 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.708 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -104.64 -179.39 3.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.35 -52.76 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB2' HG13 ' A' ' 31' ' ' VAL . 7.5 mt-10 -59.21 -25.78 64.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.48 -0.92 46.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.708 HG22 ' OD1' ' A' ' 27' ' ' ASP . 5.7 m -55.5 163.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -104.92 108.8 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.29 -61.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.72 127.59 4.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -84.06 142.29 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.62 170.83 31.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.42 124.13 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.0 ttm -98.05 121.52 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.626 ' HG2' HG23 ' A' ' 41' ' ' THR . 62.6 tt0 -110.21 130.63 55.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.501 HD11 HG23 ' A' ' 97' ' ' ILE . 8.1 mp -97.53 91.2 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.626 HG23 ' HG2' ' A' ' 39' ' ' GLU . 36.7 p -108.74 135.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -38.19 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.8 m -66.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -172.08 179.56 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD12 HD11 ' A' ' 62' ' ' LEU . 10.2 mt -87.9 127.89 35.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.8 t -125.59 148.04 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 47' ' ' LEU . 12.2 mt -115.28 152.58 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.26 109.57 12.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -143.42 174.03 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -112.23 -39.66 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -52.7 -51.04 62.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' H ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -116.74 173.48 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -80.34 149.61 30.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.6 138.67 5.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.593 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 4.7 t -117.72 157.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -136.6 157.58 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.593 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 11.8 m-90 -152.73 113.98 2.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 125.63 12.41 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.799 ' HA ' HD12 ' A' ' 62' ' ' LEU . 17.3 m-85 -42.6 -28.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.49 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m -48.3 -43.97 33.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 59' ' ' TYR . 45.1 mt -40.71 94.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' CYS . 47.1 mtt180 -53.98 -49.47 68.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.497 ' HD3' HG21 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -152.31 164.8 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.604 ' O ' HG23 ' B' ' 12' ' ' VAL . 46.3 p90 -141.87 123.47 15.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.8 -164.51 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 4.4 p90 -162.38 170.26 19.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.89 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' SER . 25.0 m-20 -163.97 165.51 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' ASP . 26.1 t -37.75 -65.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -131.46 37.08 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.5 tm? -145.08 140.0 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.662 ' N ' HD13 ' A' ' 71' ' ' LEU . 37.2 t80 -145.64 119.35 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.6 t -132.55 155.1 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -144.95 144.31 30.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -100.29 143.66 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -130.08 153.63 48.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.85 -138.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -124.85 -41.5 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 3.2 ptp180 -58.06 -15.81 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.13 155.15 11.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 82' ' ' THR . 9.3 tt0 -45.46 -67.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.463 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 19.1 p -58.3 -43.54 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.89 -178.47 27.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.5 139.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.87 134.8 2.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.522 HG22 HD12 ' B' ' 4' ' ' LEU . 48.8 mt -93.97 134.98 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' B' ' 1' ' ' LEU . 2.6 m-85 -123.52 122.13 37.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.19 155.06 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -145.71 154.39 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HG3' HG11 ' A' ' 26' ' ' VAL . 41.2 mttm -102.47 132.44 48.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 43.5 t -161.14 161.95 31.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 t -92.14 -40.39 11.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -92.5 35.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.593 ' HA ' HD12 ' A' ' 97' ' ' ILE . . . -58.64 -32.94 69.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 39.4 tt0 -66.14 -59.74 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -48.05 -22.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 94' ' ' ALA . 80.0 mt -78.94 -33.92 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -74.74 -43.78 53.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.585 ' OD1' ' CZ ' ' A' ' 98' ' ' PHE . 61.8 m-20 -66.66 -37.42 84.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.3 tp -73.99 -34.8 64.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.514 HD21 HD11 ' A' ' 45' ' ' LEU . 10.7 mt -54.32 -49.6 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -67.21 -18.74 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.35 -29.62 34.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.19 -39.7 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.7 mtp -55.95 -39.92 72.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -71.04 -14.51 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' ASN . 1.8 t -78.75 -43.04 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' CYS . 1.6 p-10 -34.85 132.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' ASN . 5.6 m -36.48 123.3 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 32.4 mm -107.9 -54.1 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -123.57 45.34 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.77 HG12 ' O ' ' A' ' 112' ' ' VAL . 55.3 t -92.25 67.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.7 ptp -31.06 107.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -149.07 149.89 31.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -45.28 131.71 5.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 145.1 56.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.7 t -125.07 112.83 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 118' ' ' ILE . 5.3 mp -136.06 121.59 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.0 pt -78.46 -34.11 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 m -144.68 133.16 21.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -106.32 146.2 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -142.06 118.01 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.9 t -45.43 155.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -78.65 143.51 63.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 146.09 59.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -84.07 108.98 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -92.77 148.09 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 pp -131.8 160.63 35.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -169.88 160.62 8.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.3 pp -115.25 145.48 34.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.1 35.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.4 OUTLIER -108.61 174.8 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 132' ' ' ARG . . . -114.24 141.42 26.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.407 ' H ' ' CD ' ' A' ' 135' ' ' GLN . 5.9 pm0 -109.08 140.05 21.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.622 0.725 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 129.1 17.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.367 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 158.29 57.4 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -138.09 130.19 28.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -160.53 173.87 14.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.9 pp -161.71 178.23 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -160.17 171.94 36.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -132.2 176.08 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.923 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.6 m -154.96 126.43 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 49.1 t -106.82 144.95 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t -149.58 158.73 44.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.777 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 87' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.839 0.352 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 13.0 t80 -90.29 119.23 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -82.15 129.99 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.522 HD12 HG22 ' A' ' 86' ' ' ILE . 13.4 mt -94.05 -179.32 4.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.49 -27.2 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -143.16 164.09 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.9 t80 -89.87 117.51 68.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.466 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 63.6 m -50.85 139.09 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.7 -52.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -80.87 98.98 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 65' ' ' TYR . 7.6 p -120.72 137.89 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.554 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 9.0 p-10 -116.21 83.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 47.1 m-85 -34.35 149.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' GLN . . . -117.02 -77.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.41 75.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.957 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 15' ' ' GLY . 26.2 tp60 -69.91 127.44 32.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -108.3 174.63 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -169.73 147.93 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 t -159.67 117.59 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.19 135.65 8.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -147.49 111.11 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -80.05 163.88 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 98.0 0.12 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.416 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.09 82.3 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -159.68 149.61 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -79.01 116.22 19.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -149.55 108.34 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ASP . 60.7 p -35.76 131.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -78.34 111.94 22.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.668 0.746 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 154.63 67.59 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.67 2.246 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.65 2.55 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 4.8 t30 -111.34 -3.13 15.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -42.12 132.01 2.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' O ' ' CZ ' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.78 -33.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 p -94.33 -21.29 19.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.38 135.57 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 18' ' ' PRO . 65.2 m-85 -136.02 118.82 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -83.55 113.37 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.88 -175.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.623 ' O ' HG13 ' A' ' 26' ' ' VAL . 96.3 m -159.18 109.81 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.98 112.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.693 HG11 ' HG3' ' A' ' 90' ' ' LYS . 31.9 m -117.09 178.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.606 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.1 p-10 -115.31 -175.76 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.21 -48.85 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.55 -38.86 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.7 16.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.606 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.6 m -62.89 164.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' OE2' HG21 ' A' ' 24' ' ' THR . 28.0 mt-10 -100.43 105.47 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.79 -60.13 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.23 129.32 4.52 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -84.15 142.04 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.94 169.61 34.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -120.65 121.1 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.4 tpp -91.52 131.8 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -118.23 130.66 56.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.764 HD11 HG23 ' A' ' 97' ' ' ILE . 6.3 mp -100.69 97.22 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' GLN . 50.7 p -113.06 137.92 50.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.9 mp0 -34.67 -37.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' THR . 32.7 m -62.18 -67.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -171.64 -175.34 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.542 HD11 HD21 ' A' ' 101' ' ' LEU . 15.4 mt -88.18 133.8 33.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.1 138.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 mt -100.79 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -130.25 108.37 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.87 -176.01 3.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.537 ' CG ' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -117.63 -75.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.537 ' N ' ' CG ' ' A' ' 50' ' ' HIS . 0.8 OUTLIER -48.25 -56.14 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -174.67 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.35 178.62 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.79 132.86 35.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.587 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 21.4 t -108.17 151.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -139.68 160.86 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 10.7 m-90 -151.83 114.39 2.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.74 123.59 10.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 62' ' ' LEU . 20.7 m-85 -39.43 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 mt -66.3 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.2 m -44.38 -39.19 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 59' ' ' TYR . 62.3 mt -50.29 112.75 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -95.77 -32.62 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.69 130.69 15.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 65' ' ' TYR . 53.4 p90 -143.74 108.67 4.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.43 -162.69 11.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 12.8 p90 -147.99 172.71 13.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -170.0 -175.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -63.24 109.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 44.85 32.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -138.94 126.94 22.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.432 ' N ' HD13 ' A' ' 71' ' ' LEU . 44.6 t80 -136.16 114.41 11.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -133.66 157.77 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -149.71 138.65 21.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.55 159.42 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.8 m -154.49 153.48 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.29 -153.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -15.82 12.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.67 -13.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.77 178.56 4.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -66.42 -70.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.583 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 52.7 p -50.84 -33.0 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 -171.4 30.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -60.93 155.88 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.56 148.91 7.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.9 mt -98.31 126.62 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HE2' ' HG1' ' A' ' 82' ' ' THR . 7.5 m-85 -110.85 123.34 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.502 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.99 154.06 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.4 m-85 -148.5 146.97 28.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.693 ' HG3' HG11 ' A' ' 26' ' ' VAL . 70.2 mttt -89.25 116.35 27.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.9 t -126.99 166.05 18.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.3 m -93.79 -36.2 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 49.1 mtp180 -112.44 47.81 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -44.84 -54.58 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 98' ' ' PHE . 24.5 tt0 -51.89 -57.02 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.476 ' CG ' ' HB3' ' A' ' 93' ' ' ARG . 26.6 mm-40 -38.36 -55.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.764 HG23 HD11 ' A' ' 40' ' ' LEU . 21.2 mt -59.33 -33.79 52.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -77.89 -21.28 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -91.55 -28.08 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.95 -35.4 20.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 45' ' ' LEU . 11.1 mt -47.34 -64.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -53.52 -33.1 53.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.56 -26.02 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.1 mt -89.68 -34.02 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.08 -61.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -41.72 -39.3 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.1 t -41.1 -45.37 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' SER . 3.7 t-20 66.53 54.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' ASN . 3.8 p -33.67 136.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 41.9 mm -108.02 -58.99 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -50.33 -20.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 113' ' ' MET . 8.4 p -56.9 -39.6 66.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.417 ' N ' HG13 ' A' ' 112' ' ' VAL . 45.5 mtm 42.28 51.71 4.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -114.29 40.24 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.14 160.51 37.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.647 0.737 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.32 9.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 117' ' ' VAL . 9.4 p -43.63 109.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.7 mm -146.25 145.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 33.7 mt -93.76 121.47 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.0 t -148.45 172.16 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -88.18 119.58 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -60.13 152.99 22.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.7 p -168.42 174.98 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -153.04 124.63 3.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.7 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -167.47 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.391 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -148.76 170.15 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -154.52 -176.45 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 129' ' ' ASP . 2.7 pp -154.76 -178.08 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.727 ' N ' HD12 ' A' ' 128' ' ' LEU . 5.3 t70 -154.35 166.59 32.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.6 pp -116.24 140.85 26.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -171.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -121.49 132.12 54.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.44 143.21 28.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -163.96 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.402 ' CG ' ' HD2' ' A' ' 136' ' ' PRO . 25.8 tt0 -144.07 140.72 17.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 135' ' ' GLN . 54.0 Cg_endo -69.78 148.99 66.13 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -167.2 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -136.1 -176.64 4.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.569 ' C ' HD13 ' A' ' 140' ' ' LEU . . . -127.24 -178.29 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -139.69 172.65 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -122.17 -154.48 9.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -149.02 178.84 8.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 0.0 110.975 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.486 HG22 ' N ' ' A' ' 144' ' ' VAL . 25.2 m -150.49 159.54 44.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.486 ' N ' HG22 ' A' ' 143' ' ' THR . 27.4 m -67.63 178.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.2 m -171.92 -177.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.843 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.877 0.37 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.52 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 37.1 t80 -74.87 144.71 43.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.52 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 2.0 mpp_? -105.89 136.33 45.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 29.1 mt -105.76 166.89 10.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -103.06 -40.16 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -131.19 127.96 39.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.0 t80 -51.85 120.17 15.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.662 0.744 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.24 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.468 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 75.8 m -67.91 127.58 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.67 -77.42 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -60.05 113.66 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 65' ' ' TYR . 13.6 p -133.63 152.77 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.9 t30 -131.19 80.05 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 13' ' ' ASN . 30.4 m-85 -37.59 144.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.75 -101.29 2.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' B' ' 17' ' ' GLN . 14.7 m-85 -46.85 -48.82 20.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' B' ' 16' ' ' TYR . 11.3 tt0 33.91 50.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -54.83 156.84 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -170.86 153.53 3.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -165.47 155.43 12.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.82 -178.13 41.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -161.71 155.29 21.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -158.33 129.03 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.14 159.03 14.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt -146.09 160.68 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -143.97 139.2 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -130.8 144.46 51.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -88.74 -62.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -68.98 144.24 54.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 13' ' ' VAL . 7.2 p -64.71 118.34 47.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.641 0.734 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.73 156.77 62.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.28 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.17 -0.79 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -133.43 38.52 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.574 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.3 t-80 -71.09 142.68 87.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.8 -45.59 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.2 p -85.94 -27.17 25.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HE2' ' ND1' ' A' ' 17' ' ' HIS . 1.6 mppt? -109.24 141.17 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 18' ' ' PRO . 97.0 m-85 -139.51 106.2 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -68.76 110.08 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -113.71 165.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.6 m -133.9 103.13 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.412 HD21 HD12 ' A' ' 33' ' ' LEU . 1.1 t30 -53.78 126.47 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 31' ' ' VAL . 23.9 m -125.7 -179.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.748 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.6 p-10 -108.7 -176.6 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.55 ' HA ' HD21 ' B' ' 4' ' ' LEU . 0.7 OUTLIER -53.9 -40.31 66.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.94 -35.52 80.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.84 17.04 8.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.748 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.4 m -78.27 164.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -99.77 108.83 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.412 HD12 HD21 ' A' ' 25' ' ' ASN . 31.0 mt -90.61 -56.45 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.77 143.4 10.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -84.27 142.97 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -145.08 162.63 28.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -112.18 122.07 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.7 tpp -99.8 132.48 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.587 ' HG2' HG23 ' A' ' 41' ' ' THR . 28.6 tt0 -123.48 130.99 53.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.665 HD22 HD23 ' A' ' 100' ' ' LEU . 8.2 mp -101.05 93.02 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.587 HG23 ' HG2' ' A' ' 39' ' ' GLU . 60.6 p -108.5 135.16 50.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -40.4 -26.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' THR . 71.4 m -72.11 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -174.11 -179.22 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.665 HD11 HD21 ' A' ' 101' ' ' LEU . 12.8 mt -91.48 132.7 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -124.34 145.62 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.5 HD12 ' CH2' ' A' ' 57' ' ' TRP . 9.2 mt -123.22 140.67 52.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.515 ' C ' HD13 ' A' ' 49' ' ' LEU . 85.5 m-70 -130.26 119.22 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.909 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -119.94 -13.66 9.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.4 ' CG ' ' H ' ' A' ' 51' ' ' ARG . 23.9 t-80 -177.7 177.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' A' ' 50' ' ' HIS . 18.4 mmt85 -48.01 -32.94 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' HD3' ' N ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -50.36 158.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.518 ' N ' ' HD3' ' A' ' 52' ' ' ARG . 6.9 mm-40 -48.64 163.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . -109.24 145.87 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.462 ' CG1' ' CG2' ' A' ' 82' ' ' THR . 45.1 t -83.85 132.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -110.85 139.56 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.5 ' CH2' HD12 ' A' ' 47' ' ' LEU . 6.6 m-90 -123.94 111.86 28.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.13 3.27 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -43.12 -25.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.14 -65.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 63' ' ' ARG . 78.8 m -48.74 -43.99 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' CYS . 13.8 mt -35.85 93.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' CYS . 41.2 mmm-85 -67.41 -48.72 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HB2' HG21 ' B' ' 12' ' ' VAL . 7.5 ptt-85 -144.29 143.12 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.482 ' C ' HG23 ' B' ' 12' ' ' VAL . 28.7 p90 -139.27 112.71 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.13 -164.71 20.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.556 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 1.2 p90 -163.38 173.25 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.14 164.15 17.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -41.94 -58.87 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.26 39.95 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -153.31 127.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -141.22 112.73 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.407 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . 26.2 t -131.13 163.85 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -148.32 137.66 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 15.9 tt0 -97.32 143.88 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -132.27 153.11 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.02 -143.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -113.09 -49.03 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -53.23 -16.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.39 143.41 49.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 82' ' ' THR . 4.0 tm0? -41.25 -47.04 3.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.491 HG23 ' OE1' ' A' ' 81' ' ' GLN . 64.9 p -69.86 -51.83 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 171.71 21.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -47.5 132.8 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.91 134.96 2.98 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 92.1 mt -91.94 138.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CD1' HD12 ' B' ' 1' ' ' LEU . 17.0 m-85 -125.98 125.33 42.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -112.95 167.23 10.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 9.1 m-85 -159.09 140.31 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -90.03 124.51 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.74 -176.55 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -117.06 -22.49 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -114.07 42.51 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -39.35 -55.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.46 -49.0 7.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.656 HG23 HD11 ' A' ' 40' ' ' LEU . 15.9 mt -66.93 -32.71 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -28.77 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -82.59 -27.76 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.665 HD23 HD22 ' A' ' 40' ' ' LEU . 62.7 tp -87.87 -41.92 12.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.665 HD21 HD11 ' A' ' 45' ' ' LEU . 12.0 mt -45.72 -62.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -54.23 -27.18 32.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.19 -34.15 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.6 -31.63 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.417 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 11.0 mtp -61.06 -32.46 72.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -97.23 -35.98 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.82 -9.61 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 105' ' ' MET . 18.6 p30 -58.03 165.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.8 m -67.26 89.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.4 mm -118.18 -42.72 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -87.83 29.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' MET . 2.6 p -129.62 87.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' VAL . 3.2 ptm -32.68 128.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -139.85 -177.64 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -37.67 145.72 0.29 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.743 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.38 67.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.46 149.1 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.544 HG23 HG23 ' A' ' 120' ' ' THR . 5.1 mp -103.5 131.77 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.6 pp -133.13 14.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.544 HG23 HG23 ' A' ' 118' ' ' ILE . 68.4 p -38.34 146.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -172.07 175.86 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -72.11 160.93 31.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.8 p -130.39 92.97 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -68.18 145.3 97.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 165.5 30.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -150.12 161.13 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.69 134.26 34.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 78.5 mt -91.44 136.67 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -129.97 168.02 17.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 pp -112.92 145.43 33.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.717 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.77 3.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -112.29 133.42 54.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -124.97 145.68 50.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 174.3 9.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.738 2.292 . . . . 0.0 112.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -126.3 142.84 43.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 142.55 48.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -172.42 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -129.69 171.41 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.74 171.62 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 140' ' ' LEU . 0.0 OUTLIER -146.65 177.98 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -139.05 -169.37 11.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -144.66 164.29 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.943 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.9 t -146.94 153.27 39.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.8 p -131.72 153.39 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.5 p -146.54 141.28 26.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 87' ' ' PHE . 4.4 mm? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.6 t80 -44.77 131.67 6.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.23 107.29 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 28' ' ' ASP . 16.2 mt -79.82 -178.08 6.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -125.66 -37.23 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -131.7 139.18 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.12 112.97 10.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -48.27 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 98.2 m -66.66 96.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.89 -60.61 8.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -60.48 113.5 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 64' ' ' ARG . 13.8 p -136.24 145.13 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 5.4 p-10 -121.84 83.51 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -44.51 125.03 4.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' B' ' 16' ' ' TYR . . . -98.57 -164.77 30.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' B' ' 15' ' ' GLY . 11.0 m-85 34.53 41.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.16 124.22 15.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' B' ' 19' ' ' GLN . 30.5 tt0 -143.7 158.05 43.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' B' ' 18' ' ' GLN . 25.3 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -157.99 171.17 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -123.96 162.75 22.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.34 -57.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -39.29 154.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -159.45 170.16 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.85 94.56 0.94 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.7 mt -121.25 103.66 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -130.98 171.66 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 mtt85 -108.34 135.53 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -66.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.8 t -67.6 127.77 33.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 13' ' ' VAL . 13.7 p -72.7 121.97 86.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.674 0.749 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.51 7.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.375 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.0 -0.94 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -129.02 27.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.11 140.19 87.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.79 -31.08 21.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -100.79 -20.38 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -119.28 145.53 46.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -147.65 108.27 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 146.42 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.526 ' O ' HG13 ' A' ' 26' ' ' VAL . 85.9 m -125.96 105.29 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' OD1' HD12 ' A' ' 33' ' ' LEU . 2.1 t-20 -52.62 118.25 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 31' ' ' VAL . 35.0 m -116.73 171.96 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.749 ' OD1' HG22 ' A' ' 31' ' ' VAL . 12.2 p-10 -107.7 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -46.25 -36.09 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.72 -35.27 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 90' ' ' LYS . . . 110.47 7.91 25.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.749 HG22 ' OD1' ' A' ' 27' ' ' ASP . 11.6 m -71.15 170.05 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.182 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -105.08 111.42 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD12 ' OD1' ' A' ' 25' ' ' ASN . 3.7 mt -89.44 -61.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.98 163.19 25.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -104.08 152.99 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.06 170.45 37.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.7 128.13 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.432 ' HE1' ' HE2' ' A' ' 74' ' ' PHE . 33.4 ttm -104.41 137.45 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.557 ' HG2' HG23 ' A' ' 41' ' ' THR . 55.5 tt0 -124.74 132.86 53.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.779 HD11 HG23 ' A' ' 97' ' ' ILE . 7.9 mp -101.08 88.1 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.557 HG23 ' HG2' ' A' ' 39' ' ' GLU . 66.7 p -102.08 138.2 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -39.06 -26.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 m -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -167.42 -178.2 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD12 HD11 ' A' ' 62' ' ' LEU . 14.9 mt -88.42 132.76 34.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.6 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 13.1 mt -112.75 161.99 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -133.26 126.65 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' A' ' 52' ' ' ARG . 8.1 mt -130.16 -177.83 4.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.467 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 8.9 p80 -116.84 -44.29 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG2' ' CE1' ' A' ' 50' ' ' HIS . 10.2 mmm180 -89.02 -46.42 8.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.687 ' HB2' HD13 ' A' ' 49' ' ' LEU . 23.2 mmt180 -89.61 169.95 10.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.563 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.8 mp0 -81.36 167.46 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.5 129.19 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.759 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 8.1 t -96.87 147.21 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 139.55 45.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.759 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.2 m-90 -133.2 115.14 13.89 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.72 10.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -43.14 -35.17 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.77 -55.56 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -63.57 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.646 HD11 HD12 ' A' ' 45' ' ' LEU . 18.1 mt -67.13 89.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -91.52 -56.41 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.822 ' HG3' HG21 ' B' ' 12' ' ' VAL . 33.0 ttm180 -97.37 125.78 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 42.7 p90 -151.87 120.0 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.18 -153.99 8.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.629 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 3.7 p90 -167.21 166.74 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -166.39 169.38 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -45.45 110.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' SER . 1.9 p-10 46.17 37.15 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.2 tm? -144.21 134.91 24.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.573 ' N ' HD13 ' A' ' 71' ' ' LEU . 55.3 t80 -144.59 121.86 11.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.0 t -133.58 155.44 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.432 ' HE2' ' HE1' ' A' ' 38' ' ' MET . 9.2 p90 -147.48 144.85 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -108.18 148.31 30.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.7 p -143.84 151.76 40.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.09 -157.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -104.88 -8.68 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -75.88 -23.74 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -60.59 146.54 44.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -40.22 -60.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -54.28 -47.76 72.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 104.42 171.18 24.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.77 134.92 3.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.36 144.83 4.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.4 mt -96.71 149.03 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CD2' HD23 ' B' ' 1' ' ' LEU . 1.5 m-85 -136.04 123.8 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.573 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.15 155.5 20.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.7 m-85 -145.32 151.8 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 30' ' ' GLY . 30.7 mttp -98.08 123.1 41.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.3 t -164.02 110.0 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 t -52.29 -19.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -97.29 32.46 2.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -64.06 -66.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.6 tt0 -33.72 -58.85 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.33 -52.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.779 HG23 HD11 ' A' ' 40' ' ' LEU . 8.1 mt -65.73 -35.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -71.74 -25.69 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -89.16 -27.06 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 tp -87.2 -26.55 23.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.442 HD21 HD11 ' A' ' 45' ' ' LEU . 12.5 mt -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -55.46 -18.65 7.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -38.31 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.8 mt -79.04 -40.71 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm -51.7 -40.15 59.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -80.34 -19.25 46.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 108' ' ' ASN . 49.8 t -66.96 -45.25 78.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 107' ' ' CYS . 11.5 p-10 -37.19 126.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -80.09 122.16 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.8 mp -102.05 79.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 44.32 33.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 m -99.61 8.39 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 37.6 mtt -144.62 155.03 43.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.3 104.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -104.08 149.31 37.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.751 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.42 2.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.488 ' C ' HD12 ' A' ' 118' ' ' ILE . 80.5 t -86.54 135.66 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.488 HD12 ' C ' ' A' ' 117' ' ' VAL . 4.6 mp -136.53 138.96 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.47 105.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.2 p -129.28 165.97 20.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -80.17 -45.67 17.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -120.73 148.28 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.3 t -91.18 113.4 25.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -41.83 116.32 1.62 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.715 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 149.62 67.42 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 0.0 112.395 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.16 87.86 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -88.6 98.59 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 128' ' ' LEU . 4.2 pp -171.12 165.53 7.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -127.3 164.31 22.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.517 HD23 ' HD2' ' A' ' 131' ' ' PRO . 0.4 OUTLIER -51.44 107.03 0.73 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.517 ' HD2' HD23 ' A' ' 130' ' ' LEU . 53.7 Cg_endo -69.73 128.43 16.04 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -177.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -161.59 142.71 8.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 153.93 68.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -113.85 124.01 31.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.716 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 119.52 6.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -62.94 152.56 36.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -118.1 143.0 46.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 tt -109.05 124.85 51.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 163.86 109.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.443 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -122.88 138.89 54.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.992 0.425 . . . . 0.0 110.883 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 8.9 t -109.44 155.13 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.89 143.99 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.2 m -41.66 115.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.509 HD21 ' HH2' ' A' ' 57' ' ' TRP . 11.0 mp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.4 t80 -116.51 137.13 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm85 -90.12 122.42 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 4' ' ' LEU . 13.3 mt -96.17 172.46 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -115.34 -29.16 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -137.25 164.07 29.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.7 t80 -91.15 118.44 68.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 74.3 m -52.75 117.16 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.22 -60.9 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -80.13 95.42 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.822 HG21 ' HG3' ' A' ' 64' ' ' ARG . 3.0 p -108.77 141.82 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.476 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 0.9 OUTLIER -116.64 83.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.93 142.48 9.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 17' ' ' GLN . . . -117.99 -82.0 0.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -61.92 80.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 15' ' ' GLY . 16.3 pt20 -99.53 -21.74 15.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -128.68 105.06 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -131.74 160.96 33.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -173.69 124.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 163.55 12.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -173.55 158.2 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -171.72 166.81 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.49 55.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.11 93.18 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -100.33 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -120.49 -178.16 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 7.6 p-10 -64.74 -53.01 53.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -63.21 103.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 13' ' ' VAL . 7.6 p -96.68 104.47 18.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 13' ' ' VAL . 54.6 Cg_endo -69.68 -179.46 2.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -95.01 7.81 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -129.47 14.88 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.5 t-80 -53.37 139.45 47.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.81 -27.52 26.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -111.39 -13.52 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -122.24 147.97 45.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -150.76 107.58 3.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -65.38 122.72 17.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -116.01 163.09 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' VAL . 93.3 m -128.64 114.05 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.492 HD21 ' HE2' ' A' ' 89' ' ' PHE . 2.5 t-20 -56.54 125.93 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG11 ' HG3' ' A' ' 90' ' ' LYS . 26.8 m -136.22 160.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' B' ' 2' ' ' PHE . 0.6 OUTLIER -102.27 -176.85 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -48.5 -45.19 36.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -61.71 -27.2 68.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 3.45 54.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 26' ' ' VAL . 34.3 m -62.82 169.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.6 107.27 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -85.43 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.4 149.43 21.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.9 p -84.36 152.18 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.29 161.96 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -120.5 122.14 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' ' 45' ' ' LEU . 52.4 tpp -92.25 132.07 36.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' ' 45' ' ' LEU . 11.9 tt0 -117.58 132.6 56.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 97' ' ' ILE . 7.8 mp -105.74 108.99 20.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' SER . 80.5 p -127.4 138.12 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' HG3' HD22 ' A' ' 104' ' ' LEU . 43.7 mt-30 -38.67 -26.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.1 m -73.83 -70.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.03 178.69 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 101' ' ' LEU . 11.6 mt -89.13 138.78 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.1 129.18 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.797 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.3 mt -101.19 140.94 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.06 106.59 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -90.92 -179.72 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.458 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 4.7 t60 -62.2 -75.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HG2' ' CE1' ' A' ' 50' ' ' HIS . 4.8 mmm180 -107.04 -30.54 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 4.4 mmm180 -53.59 157.02 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.59 -175.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.47 124.0 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.406 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 3.5 t -96.89 151.79 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -132.57 139.54 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.797 ' CH2' HD12 ' A' ' 47' ' ' LEU . 22.9 m-90 -129.84 113.31 17.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.93 43.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.872 ' HA ' HD12 ' A' ' 62' ' ' LEU . 27.3 m-85 -64.14 -13.77 50.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' B' ' 16' ' ' TYR . 2.2 mt -71.64 -66.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 62' ' ' LEU . 4.3 p -55.31 -42.12 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.872 HD12 ' HA ' ' A' ' 59' ' ' TYR . 12.1 mt -35.68 98.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -57.33 -43.28 83.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -165.03 170.53 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.516 ' CE1' ' SD ' ' A' ' 105' ' ' MET . 18.8 p90 -147.99 108.75 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.77 -164.33 21.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' N ' ' SG ' ' B' ' 9' ' ' CYS . 3.1 p90 -167.45 143.83 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 110.948 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' B' ' 9' ' ' CYS . 6.2 m-20 -141.03 168.43 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.3 t -46.91 129.08 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' SER . 30.2 t30 33.18 35.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.4 tm? -150.02 141.0 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.616 ' N ' HD13 ' A' ' 71' ' ' LEU . 60.8 t80 -145.74 129.76 17.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 t -147.48 165.87 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.95 149.2 27.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -151.67 151.71 31.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.2 -160.72 29.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -101.82 13.78 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -95.74 -13.49 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.56 168.3 18.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.7 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 p -43.03 -59.07 2.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.12 167.53 12.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -41.35 150.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.73 157.36 9.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 87' ' ' PHE . 17.0 mt -98.8 151.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CD2' HD12 ' B' ' 1' ' ' LEU . 37.1 m-85 -128.39 115.88 18.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HB3' HD11 ' B' ' 4' ' ' LEU . . . -113.18 142.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.492 ' HE2' HD21 ' A' ' 25' ' ' ASN . 9.7 m-85 -138.23 149.47 45.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.521 ' HG3' HG11 ' A' ' 26' ' ' VAL . 32.4 mttm -85.98 122.32 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.86 177.26 8.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -117.64 -22.29 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -109.45 48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 -68.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' PHE . 5.3 tt0 -42.71 -55.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.92 -50.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.489 HG23 HD11 ' A' ' 40' ' ' LEU . 11.9 mt -68.99 -32.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -74.85 -21.6 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -92.05 -35.42 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.497 HD23 ' HG ' ' A' ' 104' ' ' LEU . 2.0 tt -77.62 -36.99 51.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.638 HD21 HD11 ' A' ' 45' ' ' LEU . 10.6 mt -52.6 -50.95 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -65.51 -24.46 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.83 -29.36 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' HD23 ' A' ' 100' ' ' LEU . 66.6 mt -88.11 -45.37 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 65' ' ' TYR . 27.0 mtp -51.12 -39.48 56.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.67 -26.58 66.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.0 t -58.15 -15.88 11.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.526 ' ND2' ' CZ ' ' B' ' 16' ' ' TYR . 3.0 m-80 -48.5 160.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 m -103.27 58.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.715 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -76.39 -167.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.715 ' H ' HG22 ' A' ' 110' ' ' ILE . 0.7 OUTLIER -74.18 47.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 114' ' ' GLU . 9.8 p -78.5 11.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 112' ' ' VAL . 13.2 ptp 45.36 50.62 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.653 ' HB2' HG13 ' A' ' 112' ' ' VAL . 12.3 mt-10 -156.15 144.97 20.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' GLU . 3.5 pm0 -37.46 135.73 0.71 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.93 49.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 117' ' ' VAL . 9.8 p -127.98 115.78 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.93 151.68 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.7 pt -129.56 145.53 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.5 p -102.2 162.07 13.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -172.23 167.2 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -140.1 175.2 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 p -128.6 174.88 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -145.29 121.54 5.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.605 0.717 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.59 3.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -123.64 169.13 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -53.51 179.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.89 179.2 5.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -141.71 -177.45 5.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.7 pp -116.33 137.84 23.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.17 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -107.9 141.47 39.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.91 139.54 76.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.714 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -109.95 155.59 41.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.718 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 146.52 60.54 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -169.25 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -116.02 179.78 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -122.07 -178.06 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -140.64 176.79 8.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -112.76 -138.75 7.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -156.5 172.35 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.3 t -125.28 167.67 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 145' ' ' SER . 7.6 p -53.67 152.38 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 144' ' ' VAL . 92.3 p -119.74 155.64 32.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.799 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 87' ' ' PHE . 2.8 mm? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.811 0.339 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 60.0 t80 -98.7 156.36 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 115.53 30.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 88' ' ' ALA . 12.7 mt -95.17 162.99 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -118.84 -13.25 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -131.96 168.74 17.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -116.31 110.0 43.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.11 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 20.4 m -40.05 153.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.21 -68.42 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.15 87.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.94 144.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.49 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 27.4 p-10 -135.81 143.99 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -88.67 173.57 8.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' B' ' 16' ' ' TYR . . . -144.56 -87.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.537 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.526 ' CZ ' ' ND2' ' A' ' 108' ' ' ASN . 6.1 m-85 -36.53 111.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.837 0.351 . . . . 0.0 110.961 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -109.63 139.89 44.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -147.71 119.32 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -166.71 113.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -152.48 159.89 43.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 136.21 3.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -162.71 178.5 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -79.88 109.21 14.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.31 85.75 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.3 mt -134.17 135.28 42.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -173.95 133.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -136.09 158.17 45.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -78.87 -55.03 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.2 p -93.86 155.32 17.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 13' ' ' VAL . 7.2 p -73.68 115.91 46.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.2 Cg_endo -69.75 163.3 38.78 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.374 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.49 -2.19 31.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' HB3' ' NH2' ' A' ' 93' ' ' ARG . 11.6 p30 -130.76 35.22 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.551 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.94 139.92 96.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.823 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.1 Cg_endo -69.78 -30.7 21.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.8 p -101.07 -25.16 14.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 2.0 mptp? -113.26 153.64 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.7 m-85 -149.96 107.39 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HG2' HG22 ' A' ' 37' ' ' VAL . 17.8 mttm -69.88 117.07 10.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.38 174.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 26' ' ' VAL . 97.3 m -141.25 105.45 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 121.07 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 24' ' ' THR . 34.2 m -122.28 178.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.747 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -110.49 -177.27 3.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -53.0 -39.13 62.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -39.56 81.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.35 5.23 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.747 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.1 m -67.2 165.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.132 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.38 114.08 27.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.64 -59.52 1.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.05 145.11 15.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.4 p -90.61 147.53 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.86 167.41 37.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' HG2' ' A' ' 22' ' ' LYS . 26.9 t -121.61 123.61 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.9 ttm -93.51 123.61 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.604 ' HG2' HG23 ' A' ' 41' ' ' THR . 81.9 tt0 -109.31 131.79 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 HG23 ' A' ' 97' ' ' ILE . 10.7 mp -100.55 89.77 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' ' 39' ' ' GLU . 22.5 p -108.36 135.99 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -38.5 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' THR . 67.7 m -68.51 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.445 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 10.1 pt-20 -174.46 179.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.582 HD11 HD21 ' A' ' 101' ' ' LEU . 12.4 mt -89.13 115.16 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.661 HG22 ' HG2' ' A' ' 56' ' ' ARG . 81.7 t -115.68 142.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.5 mt -105.0 155.86 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -132.01 114.16 14.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD22 ' CB ' ' A' ' 52' ' ' ARG . 6.0 mp -110.85 -176.1 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -92.01 -75.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.7 mtm-85 -100.23 26.15 6.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.611 ' CB ' HD22 ' A' ' 49' ' ' LEU . 13.0 mmp_? -126.9 160.65 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.88 -178.6 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.76 135.01 46.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.606 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 41.4 t -108.15 141.18 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.661 ' HG2' HG22 ' A' ' 46' ' ' VAL . 24.0 mtp85 -121.51 161.2 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.606 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 5.7 m-90 -152.7 113.48 2.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 121.27 7.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 44' ' ' GLU . 47.7 m-85 -47.6 -26.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 1.9 tt -63.37 -45.95 88.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 5.2 p -70.84 -37.05 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD12 ' HD1' ' A' ' 59' ' ' TYR . 12.5 mt -45.14 92.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 74.5 ttt180 -53.71 -55.84 22.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.7 166.43 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 65' ' ' TYR . 1.3 p90 -149.0 133.76 17.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.04 -168.85 12.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -160.74 151.9 18.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.19 168.7 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 t -48.54 -54.75 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -132.98 35.98 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.8 OUTLIER -148.85 131.07 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.548 ' N ' HD13 ' A' ' 71' ' ' LEU . 14.6 t80 -140.21 116.29 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -134.19 168.86 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.48 145.27 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -98.09 154.05 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 81.3 p -153.6 152.66 31.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.76 -152.03 1.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -24.73 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -55.06 -18.85 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 p -72.97 150.05 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 82' ' ' THR . 12.2 tt0 -42.72 -66.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.454 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 53.4 p -47.45 -57.09 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.55 172.24 15.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -48.04 134.29 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 145.7 144.99 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -95.27 150.99 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -140.14 124.78 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -99.87 156.69 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -148.5 130.98 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -82.51 119.27 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 9.3 t -133.65 156.74 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 t -86.81 -31.35 20.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 2.7 ptp180 -118.01 52.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.38 -57.57 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.407 ' HG2' HD22 ' A' ' 99' ' ' ASN . 22.0 tt0 -42.65 -53.99 4.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -41.36 -54.07 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.505 HG23 HD11 ' A' ' 40' ' ' LEU . 10.3 mt -60.54 -33.96 56.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -74.52 -19.84 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.407 HD22 ' HG2' ' A' ' 95' ' ' GLU . 2.4 m-20 -85.69 -30.39 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 100' ' ' LEU . 2.5 tt -90.83 -34.44 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 45' ' ' LEU . 12.1 mt -53.76 -56.79 14.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -53.16 -33.05 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.58 -25.82 62.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.425 HD11 HD22 ' A' ' 100' ' ' LEU . 86.1 mt -87.73 -44.34 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 29.7 mmm -54.82 -42.05 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.51 -35.78 63.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' ASN . 17.7 t -49.21 -58.49 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' CYS . 13.9 t30 -35.52 128.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 73.2 m -41.95 114.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.8 mm -101.86 107.76 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.4 m120 38.6 42.26 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.4 t -88.48 -57.29 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 49.6 mtt -57.59 177.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -104.46 121.05 42.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -109.52 142.73 26.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.6 68.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 2.215 . . . . 0.0 112.37 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 18.1 t -89.35 79.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 tp -54.62 141.52 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.725 ' O ' HD12 ' A' ' 119' ' ' ILE . 2.7 pp -64.0 135.19 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.9 t -126.8 154.78 43.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -104.92 115.86 31.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -123.05 156.48 34.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.1 m -128.95 43.23 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -152.28 143.77 16.08 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.56 0.695 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.64 48.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.71 165.07 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -128.33 149.01 50.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.709 HD23 ' H ' ' A' ' 128' ' ' LEU . 2.6 pt? -121.33 152.27 39.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.2 154.74 31.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.3 pp -114.05 141.92 27.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 136.92 34.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.242 . . . . 0.0 112.334 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -117.11 144.4 44.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -144.19 149.37 44.85 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.602 0.715 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 157.83 59.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -119.18 118.67 32.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 150.72 68.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.37 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -172.77 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.338 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -143.09 116.96 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -152.45 178.65 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 15.6 tp -153.23 138.83 17.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -123.37 158.47 17.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.429 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 143' ' ' THR . 82.0 t80 -151.1 165.87 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 110.928 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 142' ' ' TYR . 15.0 t -152.64 162.12 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -150.28 141.55 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 t -158.06 135.13 10.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.782 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 38.4 t80 -66.5 137.32 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 134.45 40.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 88' ' ' ALA . 16.2 mt -103.48 163.08 12.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -93.56 -43.99 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -134.05 175.37 9.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.09 119.48 69.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -50.58 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -56.01 141.28 40.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.414 ' O ' HG13 ' B' ' 12' ' ' VAL . . . -100.73 -62.72 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -72.8 83.48 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.414 HG13 ' O ' ' B' ' 10' ' ' GLY . 1.5 m -96.15 162.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.443 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 48.7 t-20 -122.35 90.61 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -51.48 116.28 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.83 -88.98 2.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.441 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 49.0 m-85 -71.48 83.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -139.08 135.77 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -91.11 124.09 35.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -141.11 137.07 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -156.25 174.5 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.54 -174.48 41.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -144.6 132.12 20.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 p -161.42 171.52 18.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 -107.29 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -103.24 165.93 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.79 103.01 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.67 47.33 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -168.16 169.72 10.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -88.21 34.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 13' ' ' VAL . 6.6 p -140.44 118.94 8.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 147.14 62.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.16 17.98 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -127.87 8.53 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t-80 -48.95 133.31 14.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.6 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -84.36 -38.99 19.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' HIS . 1.7 mppt? -97.85 155.72 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 98.1 m-85 -153.58 105.65 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -61.07 122.39 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.09 -179.24 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 26' ' ' VAL . 89.6 m -150.85 106.99 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -59.82 126.75 28.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.701 HG11 ' HD2' ' A' ' 90' ' ' LYS . 19.7 m -129.36 168.68 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.588 ' OD1' HG23 ' A' ' 31' ' ' VAL . 1.9 p-10 -97.51 -174.1 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -54.36 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.36 6.77 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.588 HG23 ' OD1' ' A' ' 27' ' ' ASP . 1.5 t -66.5 151.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.72 113.28 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 12.1 mt -88.45 -64.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.42 149.31 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.8 p -97.31 143.16 28.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.27 170.65 36.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.8 t -125.16 124.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.596 ' CG ' HD22 ' A' ' 45' ' ' LEU . 28.7 tpp -91.58 129.91 37.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.518 ' HG2' HG23 ' A' ' 41' ' ' THR . 54.2 tt0 -114.29 132.3 56.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 97' ' ' ILE . 9.8 mp -97.29 90.73 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 39' ' ' GLU . 21.8 p -110.77 135.99 50.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -38.26 -27.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' THR . 17.6 p -70.1 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -174.55 -178.72 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 ' CG ' ' A' ' 38' ' ' MET . 12.9 mt -89.87 108.77 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.94 146.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -109.17 150.7 27.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -121.96 130.13 53.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 53' ' ' GLU . 5.6 mp -127.54 179.91 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -107.34 111.33 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 61.01 26.03 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -133.01 153.55 51.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.453 ' O ' HD13 ' A' ' 49' ' ' LEU . 3.2 mp0 -56.46 163.39 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.7 160.9 15.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.796 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 37.5 t -126.31 154.36 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.8 mpt_? -139.99 161.72 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.796 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.2 m-90 -154.66 117.73 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.5 Cg_endo -69.76 124.05 10.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.1 m-85 -43.45 -22.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.1 tp -67.85 -58.17 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.2 p -50.5 -36.6 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 59' ' ' TYR . 77.7 mt -59.82 92.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -78.12 -42.13 32.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.908 ' HG3' HG21 ' B' ' 12' ' ' VAL . 52.0 ttp180 -129.54 137.64 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.49 ' C ' HG23 ' B' ' 12' ' ' VAL . 16.9 p90 -145.3 112.52 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.97 -163.41 13.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -166.47 159.46 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -145.87 177.47 8.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -46.61 -63.35 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -129.9 42.18 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.2 tm? -150.35 128.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.541 ' N ' HD13 ' A' ' 71' ' ' LEU . 13.7 t80 -131.47 110.34 10.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.3 t -126.22 157.33 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.0 145.18 25.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 76' ' ' SER . 14.2 tt0 -101.9 153.73 19.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.416 ' O ' ' OE1' ' A' ' 84' ' ' GLN . 2.7 p -150.88 127.07 10.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.76 179.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 9.1 ptt180 -81.44 36.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -108.93 -34.04 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 10.0 p -59.68 145.96 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -40.43 -56.57 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -55.78 -40.41 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.47 175.77 19.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.478 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 4.6 tp60 -65.53 118.26 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 175.17 152.21 9.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.44 HG22 HD12 ' B' ' 4' ' ' LEU . 92.7 mt -93.69 126.88 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.106 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.65 114.75 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.421 ' CB ' HD11 ' B' ' 4' ' ' LEU . . . -101.11 132.08 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -126.97 139.66 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.701 ' HD2' HG11 ' A' ' 26' ' ' VAL . 38.0 mttp -85.21 131.8 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.9 p -147.37 -176.62 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -120.3 -22.16 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' ALA . 21.3 mtm180 -111.56 27.23 9.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' ARG . . . -35.0 -43.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' PHE . 11.7 tt0 -60.97 -55.66 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -39.48 -57.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 40' ' ' LEU . 10.5 mt -61.34 -32.93 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -70.76 -33.45 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -79.19 -29.78 43.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 104' ' ' LEU . 1.8 tt -82.61 -40.72 20.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.499 HD21 HD11 ' A' ' 45' ' ' LEU . 14.4 mt -53.58 -54.87 31.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.48 -26.7 61.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.59 -39.41 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 100' ' ' LEU . 61.8 mt -75.78 -33.99 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm -61.75 -36.65 81.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -79.86 -9.2 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.4 t -77.8 -37.08 49.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.651 ' O ' HD12 ' A' ' 110' ' ' ILE . 78.1 m-20 -66.96 176.19 2.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 m -84.89 112.29 20.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 108' ' ' ASN . 4.6 mp -106.03 -66.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 112' ' ' VAL . 1.9 m120 -37.03 -47.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 113' ' ' MET . 30.6 m -35.64 -47.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.569 ' N ' HG23 ' A' ' 112' ' ' VAL . 10.0 mtt -43.23 164.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 57.2 50.34 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -49.47 154.68 1.51 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.73 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -174.95 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.478 ' O ' HD13 ' A' ' 118' ' ' ILE . 7.3 p -44.53 122.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.777 HG22 ' H ' ' A' ' 120' ' ' THR . 7.0 mm -118.15 142.87 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.0 pt -38.22 -37.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.777 ' H ' HG22 ' A' ' 118' ' ' ILE . 28.6 m -66.65 160.02 26.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.509 ' N ' HG22 ' A' ' 120' ' ' THR . 32.7 ptt180 -66.75 139.9 57.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -168.57 147.5 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -81.74 152.0 27.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -125.33 121.05 24.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 174.12 9.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.9 48.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.23 128.01 34.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -174.47 156.75 2.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -170.63 131.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 130' ' ' LEU . 0.8 OUTLIER -110.65 156.12 41.07 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.583 0.706 . . . . 0.0 110.926 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.11 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -168.46 137.8 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -148.95 137.08 11.54 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.602 0.715 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -174.92 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -141.09 120.78 8.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 129.42 17.52 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.335 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.66 0.76 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -77.63 176.4 9.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.52 ' C ' HD12 ' A' ' 140' ' ' LEU . . . -109.42 -70.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 139' ' ' ALA . 5.6 mp -149.43 174.51 12.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -128.74 -128.59 3.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.536 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -167.44 165.84 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.419 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 37.7 m -158.71 120.09 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 24.5 m -111.56 178.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -143.5 159.34 42.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.835 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 26.1 t80 -106.99 134.18 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -96.24 124.01 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.44 HD12 HG22 ' A' ' 86' ' ' ILE . 29.5 mt -95.16 164.65 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -99.22 -39.56 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -129.47 164.79 22.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.431 ' CD1' ' HD2' ' B' ' 8' ' ' PRO . 2.7 t80 -86.36 121.92 72.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 53.5 Cg_endo -69.79 -50.66 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.83 151.0 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.32 -73.81 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.46 99.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.908 HG21 ' HG3' ' A' ' 64' ' ' ARG . 7.1 p -119.62 146.17 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 18.8 p-10 -114.32 78.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -38.3 129.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.37 -96.37 2.02 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 3.7 m-85 -51.16 162.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -38.62 136.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.42 ' CD ' ' N ' ' B' ' 18' ' ' GLN . 0.8 OUTLIER -116.38 107.86 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -172.78 167.99 5.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -171.6 153.44 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.2 112.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -167.5 108.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -163.79 159.61 21.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.24 138.9 18.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.13 -51.16 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -171.8 122.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 69.3 mtp180 -120.84 79.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 20.4 m-20 -167.72 167.1 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.5 p -54.72 133.46 47.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 13' ' ' VAL . 12.6 p -48.22 114.53 3.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.563 0.696 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.9 Cg_endo -69.75 157.14 61.45 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 13.5 m-20 -71.1 -1.13 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -134.46 40.42 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.6 t-80 -70.82 141.15 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 p -94.92 -27.9 15.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -115.45 147.18 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -147.49 108.71 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -68.81 127.0 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -125.13 174.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 26' ' ' VAL . 72.3 m -137.55 107.53 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' ND2' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.06 119.22 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 24' ' ' THR . 34.9 m -123.05 179.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.705 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.7 p-10 -113.27 -175.18 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.9 -42.82 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.81 -40.51 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.1 12.2 7.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.705 HG22 ' OD1' ' A' ' 27' ' ' ASP . 20.9 m -73.73 167.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -100.55 113.47 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD12 ' ND2' ' A' ' 25' ' ' ASN . 11.8 mt -96.18 -63.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.57 149.43 19.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.9 p -96.83 142.42 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.599 ' HA3' HD23 ' A' ' 49' ' ' LEU . . . -159.37 169.96 35.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -120.34 121.02 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.587 ' SD ' HD22 ' A' ' 45' ' ' LEU . 34.7 tpp -85.33 130.04 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.812 ' HG2' HG23 ' A' ' 41' ' ' THR . 29.6 tt0 -114.57 131.09 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.586 HD11 HG23 ' A' ' 97' ' ' ILE . 8.3 mp -102.68 76.12 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.812 HG23 ' HG2' ' A' ' 39' ' ' GLU . 36.8 p -94.43 130.99 40.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' THR . 36.7 mt-30 -35.84 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 t -65.19 -61.43 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -172.53 -179.5 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.741 HD12 HD11 ' A' ' 62' ' ' LEU . 9.2 mt -92.48 123.86 36.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t -123.84 142.48 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.536 HD12 ' CH2' ' A' ' 57' ' ' TRP . 11.7 mt -108.27 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.31 103.27 15.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.599 HD23 ' HA3' ' A' ' 36' ' ' GLY . 7.2 mt -98.49 180.0 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' ARG . 13.1 t-80 -104.89 117.62 34.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' HIS . 14.5 mmt180 36.87 33.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' HG2' HD13 ' A' ' 49' ' ' LEU . 5.9 tpt180 -114.4 -75.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' O ' HD12 ' A' ' 49' ' ' LEU . 4.0 mt-10 -172.06 -177.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.2 124.93 9.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.672 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 62.9 t -115.67 162.83 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.591 ' N ' HG12 ' A' ' 55' ' ' VAL . 9.1 mtt85 -141.46 135.63 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.672 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 18.3 m-90 -129.89 112.69 17.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.77 121.52 8.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.415 ' HA ' HD12 ' A' ' 62' ' ' LEU . 29.7 m-85 -38.39 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD13 ' HG2' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -63.04 -60.06 3.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.4 p -58.9 -36.09 74.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 45' ' ' LEU . 11.3 mt -48.13 97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.11 -54.93 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -153.04 172.03 17.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 3.6 p90 -149.15 131.6 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.41 -169.34 14.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -166.26 146.46 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -144.67 171.75 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.0 p -46.64 -55.91 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -133.55 42.62 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -151.83 130.48 12.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.566 ' N ' HD13 ' A' ' 71' ' ' LEU . 31.9 t80 -140.6 108.98 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -129.49 167.79 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 9.4 p90 -151.67 142.73 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.28 148.5 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.3 m -146.01 153.24 40.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.38 -148.47 1.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.458 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -105.85 -37.13 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' NH2' ' CD ' ' A' ' 115' ' ' GLU . 10.7 ptm180 -45.1 -25.35 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 p -66.27 160.29 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -52.75 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p -51.11 -33.03 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.05 179.1 44.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.458 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 11.0 pt20 -44.26 141.69 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.55 149.86 5.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.0 mt -105.01 136.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -121.61 123.91 43.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -100.74 165.03 11.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -155.78 120.78 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HG3' HG11 ' A' ' 26' ' ' VAL . 67.8 mttt -67.83 118.66 11.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.9 166.67 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.4 m -108.77 -32.86 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.462 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -98.1 38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.18 -54.5 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -49.06 -55.31 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -41.87 -54.9 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.586 HG23 HD11 ' A' ' 40' ' ' LEU . 14.5 mt -62.36 -31.46 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -34.94 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -72.59 -28.04 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.91 -43.78 12.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.607 HD21 HD11 ' A' ' 45' ' ' LEU . 10.1 mt -45.51 -52.99 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -59.92 -37.89 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.77 -25.3 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.9 mt -92.58 -30.49 15.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 9.4 mmm -68.56 -55.15 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -48.07 -30.47 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -45.06 -46.02 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 109' ' ' SER . 13.2 t-20 73.34 50.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 108' ' ' ASN . 92.9 p -33.68 121.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.537 HG23 HD11 ' A' ' 119' ' ' ILE . 5.3 mp -102.48 105.46 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 39.59 45.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 112' ' ' VAL . 49.8 t -95.46 68.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.43 ' O ' ' CD ' ' A' ' 114' ' ' GLU . 4.4 mtm 64.75 47.96 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 113' ' ' MET . 3.8 mp0 -159.94 175.85 12.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.475 ' CD ' ' NH2' ' A' ' 79' ' ' ARG . 2.6 pt-20 -48.04 152.31 1.47 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.19 56.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.706 2.271 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.411 HG21 HD21 ' A' ' 60' ' ' LEU . 87.3 t -141.93 109.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 118' ' ' ILE . 4.9 mp -64.06 116.44 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.537 HD11 HG23 ' A' ' 110' ' ' ILE . 50.3 mt -78.54 -48.0 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.658 HG23 ' O ' ' A' ' 120' ' ' THR . 7.3 t 27.4 46.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 119' ' ' ILE . 4.0 ptm180 -171.73 146.09 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -164.11 167.8 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.4 m -160.11 175.14 13.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -154.99 114.07 2.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -175.83 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -173.35 157.82 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -155.67 173.09 17.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 pp -156.93 174.44 15.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -162.04 167.44 24.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.1 pp -125.25 134.3 25.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -175.18 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -155.08 139.62 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -139.14 131.41 15.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -168.41 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -143.65 122.17 7.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.699 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.25 47.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -171.22 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -174.57 157.38 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -173.65 159.34 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 141' ' ' GLY . 1.3 tt -174.76 161.41 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.727 ' N ' HD23 ' A' ' 140' ' ' LEU . . . -164.75 175.82 40.66 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -162.8 178.22 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.4 m -124.33 122.26 37.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.0 m -116.46 175.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.9 t -91.79 -179.01 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.838 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.824 0.345 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 34.1 t80 -102.14 126.86 49.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.02 134.51 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 88' ' ' ALA . 22.5 mt -105.21 166.59 10.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -97.15 -42.9 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -132.87 -179.9 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.22 120.86 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -49.56 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 65.2 m -60.85 145.68 49.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.19 -63.38 0.84 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -74.66 89.61 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -98.27 151.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 62.9 t-20 -108.21 92.26 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -55.4 133.54 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.38 -106.16 1.07 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 60' ' ' LEU . 47.4 m-85 -60.56 109.89 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.935 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -87.14 -16.94 33.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.49 128.55 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -87.33 -46.77 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.805 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -77.62 161.68 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 -156.27 6.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -143.03 152.81 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -103.77 131.78 50.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.0 109.41 2.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mp -95.03 114.62 26.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.343 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -117.48 -58.18 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -59.35 134.3 56.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -115.31 -60.73 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 p -129.31 13.42 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.9 t -152.31 105.45 2.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.72 60.85 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.309 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.64 4.59 9.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.37 18.18 9.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.414 ' CE1' ' HG1' ' A' ' 19' ' ' THR . 4.3 t-80 -58.94 134.1 87.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.553 0.692 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.22 36.53 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.414 ' HG1' ' CE1' ' A' ' 17' ' ' HIS . 21.9 p -113.34 -17.8 12.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -120.91 130.99 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -132.88 108.27 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.25 106.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.72 177.84 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' HG13 ' A' ' 26' ' ' VAL . 51.9 m -147.07 108.44 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -54.87 130.57 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 24' ' ' THR . 28.5 m -130.72 174.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.782 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.8 p-10 -109.82 -175.55 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.21 -51.87 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.78 -35.36 74.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.88 0.14 24.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.782 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.6 m -57.9 164.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 111.171 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -97.73 105.14 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 27' ' ' ASP . 25.7 mt -86.42 -56.65 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.28 143.38 10.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 154.83 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.72 171.1 36.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.448 ' O ' HD22 ' A' ' 47' ' ' LEU . 33.2 t -119.51 126.38 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 40.2 ttm -109.89 125.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -114.54 136.29 53.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.909 HD11 HG23 ' A' ' 97' ' ' ILE . 7.1 mp -101.6 97.66 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 42' ' ' GLN . 41.2 p -118.37 131.71 56.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 41' ' ' THR . 94.6 mt-30 -32.45 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 8.7 t -61.34 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.95 -177.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD11 HD21 ' A' ' 101' ' ' LEU . 10.1 mt -88.97 121.89 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.62 121.98 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 37' ' ' VAL . 0.8 OUTLIER -111.77 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -109.56 138.77 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -134.15 -176.38 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.432 ' ND1' ' HG2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -112.37 -11.84 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 27.8 mmm180 -118.74 -32.28 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.589 ' HB3' HD22 ' A' ' 49' ' ' LEU . 19.5 tpp180 -106.98 158.61 16.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 38.8 mm-40 -78.97 149.83 32.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.48 113.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.8 t -98.69 124.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.7 151.95 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.705 ' HH2' HD11 ' B' ' 1' ' ' LEU . 2.3 m-90 -138.76 124.09 12.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.582 0.706 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.409 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 54.4 Cg_endo -69.77 140.88 43.71 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.895 ' HA ' HD12 ' A' ' 62' ' ' LEU . 11.4 m-85 -74.19 -30.4 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.708 HD13 ' CD2' ' B' ' 16' ' ' TYR . 1.0 OUTLIER -73.58 -77.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 1.3 m -34.76 -37.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 59' ' ' TYR . 6.0 mt -33.73 132.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -90.56 -63.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.989 ' HG3' HG21 ' B' ' 12' ' ' VAL . 14.0 ttp-105 -136.23 149.95 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.619 ' C ' HG23 ' B' ' 12' ' ' VAL . 54.6 p90 -151.91 108.31 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.05 -168.1 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.403 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.3 p90 -156.2 162.62 40.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.8 m-20 -154.3 169.23 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' ASP . 15.3 t -35.04 -71.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -123.36 29.0 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.723 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.4 tm? -137.85 132.16 32.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.723 ' N ' HD13 ' A' ' 71' ' ' LEU . 54.7 t80 -142.56 107.07 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.2 t -116.29 166.22 12.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.9 p90 -160.02 140.6 11.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -101.6 156.48 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.4 p -140.67 149.13 41.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' GLY . . . -62.76 -151.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -111.99 -32.3 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -64.89 -14.34 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -66.43 -175.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.07 -61.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 p -72.2 -34.32 68.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . 94.36 -162.01 24.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.9 155.12 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.03 140.67 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 98.3 mt -99.01 136.62 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' B' ' 1' ' ' LEU . 17.9 m-85 -123.82 122.6 38.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.75 129.79 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -120.45 138.92 53.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -97.57 116.18 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.1 148.39 48.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 t -80.54 -28.56 37.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -112.53 47.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -56.86 -57.21 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 98' ' ' PHE . 19.0 tt0 -37.81 -60.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -39.78 -53.71 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.909 HG23 HD11 ' A' ' 40' ' ' LEU . 12.3 mt -62.48 -31.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -78.67 -25.13 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -89.14 -18.29 27.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.3 tp -95.34 -30.56 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 45' ' ' LEU . 10.5 mt -54.01 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -53.66 -29.75 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.9 -36.03 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.22 -36.93 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.412 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 65.1 mtp -63.22 -47.99 80.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -55.5 -29.74 59.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.01 -28.12 68.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.528 ' O ' HD12 ' A' ' 110' ' ' ILE . 76.1 m-20 56.71 39.45 29.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -40.67 112.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.58 ' O ' HG22 ' A' ' 110' ' ' ILE . 5.3 mp -96.52 64.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 110' ' ' ILE . 0.4 OUTLIER 35.49 54.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.2 16.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 50.8 mtt -142.95 159.15 42.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -82.32 119.19 23.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.03 150.13 37.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 142.94 49.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 79.9 t -103.28 138.64 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 120' ' ' THR . 26.0 mm -79.74 146.85 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.6 pt -83.04 8.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.645 ' H ' HG22 ' A' ' 118' ' ' ILE . 2.6 t -152.5 137.79 17.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -137.93 137.45 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -115.87 167.57 10.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 53.4 p -107.89 170.56 7.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -119.43 83.98 28.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.79 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -152.36 171.29 18.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -91.38 121.32 33.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 128' ' ' LEU . 4.2 pp -78.54 139.52 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -146.41 166.54 26.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.3 pp -106.23 139.33 20.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 166.21 28.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -83.72 -176.63 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -112.99 144.36 30.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.53 0.681 . . . . 0.0 111.137 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 170.54 16.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.47 143.0 92.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.7 57.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.748 2.298 . . . . 0.0 112.34 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -171.75 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -112.66 178.35 4.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -136.18 174.32 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 13.7 tp -155.49 151.17 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -109.59 -158.61 17.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -146.21 167.78 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 8.9 t -133.56 156.55 47.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.1 p -87.08 149.72 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.2 p -108.64 171.95 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.832 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.705 HD11 ' HH2' ' A' ' 57' ' ' TRP . 3.8 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.832 0.348 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 15.8 t80 -48.42 122.13 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -83.81 126.9 33.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 mt -93.8 172.85 7.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.64 -39.75 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -140.17 154.99 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.38 125.28 91.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.2 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 t -66.5 153.89 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.1 -42.16 1.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -92.35 100.28 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.989 HG21 ' HG3' ' A' ' 64' ' ' ARG . 6.6 p -116.24 138.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' B' ' 14' ' ' TYR . 8.4 t30 -104.64 70.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' B' ' 13' ' ' ASN . 54.0 m-85 -35.45 138.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.8 -81.48 1.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.708 ' CD2' HD13 ' A' ' 60' ' ' LEU . 17.2 m-85 -68.57 116.4 9.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -168.28 152.21 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -52.63 126.99 21.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -158.5 159.31 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -169.33 151.65 4.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.68 158.49 8.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 p -162.41 123.21 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -167.89 166.86 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.4 101.66 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -166.26 144.69 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -131.18 131.84 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -127.5 168.34 15.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -109.13 -64.01 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.8 p -71.31 148.68 46.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 13' ' ' VAL . 13.6 p -73.59 116.76 54.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 154.28 67.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.661 2.241 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.65 10.24 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.05 20.25 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.506 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -62.83 140.69 97.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.589 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.74 -43.04 2.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.6 p -87.2 -23.93 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -115.8 135.38 54.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 85.7 m-85 -136.22 109.62 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -67.88 119.53 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -119.8 164.82 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 26' ' ' VAL . 21.4 m -131.65 109.9 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.16 108.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 31' ' ' VAL . 27.6 m -115.1 -178.91 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.701 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.4 p-10 -113.3 -174.91 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.87 -39.41 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.51 -39.59 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.81 15.64 7.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.701 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.1 m -75.92 164.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -96.43 110.13 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.77 -58.16 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.37 138.98 7.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.9 p -84.74 138.85 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.64 165.65 30.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.08 122.13 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.4 tpp -89.08 133.69 34.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.648 ' HG2' HG23 ' A' ' 41' ' ' THR . 19.0 tt0 -124.27 131.09 53.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.45 88.53 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 39' ' ' GLU . 13.9 p -107.07 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' THR . 38.8 mt-30 -32.98 -40.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -58.65 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -174.96 -179.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 62' ' ' LEU . 13.0 mt -87.62 120.25 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.01 138.96 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.631 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 13.5 mt -110.77 128.53 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -106.06 125.18 50.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 53' ' ' GLU . 5.6 mp -129.08 171.67 12.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -105.25 -60.12 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -73.75 -50.98 18.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -82.86 -178.08 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.613 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.1 pm0 -91.82 -177.63 4.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.78 137.02 41.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.71 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 48.7 t -116.48 160.38 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' N ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -135.52 157.83 45.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.71 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 29.6 m-90 -148.95 111.83 3.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 127.97 15.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.1 m-85 -43.13 -31.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 0.2 OUTLIER -58.82 -59.52 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.67 -40.59 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 59' ' ' TYR . 14.6 mt -44.27 105.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -70.88 -52.58 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.64 ' O ' HG23 ' B' ' 12' ' ' VAL . 7.3 p90 -136.89 120.52 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.45 161.31 15.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HB3' ' CB ' ' A' ' 98' ' ' PHE . 5.3 p90 -124.98 168.63 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.57 -176.07 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LEU . 48.2 t -70.8 123.47 22.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 39.19 25.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -136.68 127.81 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -136.83 116.6 13.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.5 t -140.68 158.19 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -145.39 146.75 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -107.36 135.69 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 m -138.03 137.99 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.68 160.74 51.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -47.91 -26.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -21.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.7 p -74.06 165.72 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.31 -69.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.8 p -46.3 -40.78 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 111.05 176.84 20.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.468 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 8.5 tt0 -51.83 137.95 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.31 143.2 4.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 70.3 mt -94.64 141.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' HB2' ' B' ' 1' ' ' LEU . 8.7 m-85 -126.07 124.61 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -105.85 158.59 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 11.4 m-85 -153.36 136.92 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -84.23 119.24 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.74 172.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.5 t -97.11 -40.44 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -109.41 58.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.25 -57.25 13.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' PHE . 15.4 tt0 -49.08 -55.69 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.38 -47.7 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.0 mt -63.34 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.1 -19.75 59.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -90.3 -22.98 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 100' ' ' LEU . 3.3 tt -91.4 -36.57 13.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.28 -54.07 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.1 -33.78 65.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -24.86 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.5 mt -94.16 -26.22 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.543 ' SD ' ' CE1' ' B' ' 16' ' ' TYR . 12.6 mmm -77.77 -51.92 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -47.55 -29.19 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 37.9 t -45.96 -29.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 109' ' ' SER . 32.1 m-20 57.79 45.17 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' ASN . 3.1 m -34.3 108.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.3 mt -94.9 -73.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -114.75 57.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.83 -44.2 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.7 mmt -57.09 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 115' ' ' GLU . 15.2 pt-20 -103.73 174.08 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 114' ' ' GLU . 7.7 pt-20 -35.41 148.12 0.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.56 59.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.51 136.05 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 118' ' ' ILE . 4.4 mp -101.88 124.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.52 141.31 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.2 t -47.9 157.93 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -60.83 154.41 22.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -119.09 170.98 8.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.475 ' O ' ' CD2' ' A' ' 124' ' ' HIS . 78.7 p -97.03 175.46 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 123' ' ' SER . 71.3 m-70 -158.69 139.67 9.4 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.529 0.681 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.22 152.1 36.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.77 150.22 34.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -103.26 118.05 35.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -60.74 168.47 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.0 pp -112.43 148.34 38.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.711 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 159.9 51.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -95.23 -179.77 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 132' ' ' ARG . . . -126.54 153.13 75.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.076 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -176.15 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -131.62 152.17 79.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.539 0.685 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 146.2 59.59 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.653 2.236 . . . . 0.0 112.39 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -179.58 3.0 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.749 2.299 . . . . 0.0 112.324 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.44 178.14 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.57 178.59 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.1 tp -136.86 153.93 50.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -109.26 -151.23 14.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -148.26 137.23 21.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 44.0 p -102.12 137.9 39.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.32 131.35 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.2 m -51.01 157.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 -179.78 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.51 ' HB2' ' CD1' ' A' ' 87' ' ' PHE . 7.2 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 41.6 t80 -77.88 134.4 37.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.566 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -89.78 147.22 23.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 88' ' ' ALA . 12.5 mt -117.83 153.07 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -84.63 -49.6 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -125.52 160.45 29.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 5.7 t80 -85.04 118.38 70.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 54.2 Cg_endo -69.73 -45.82 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.513 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 33.3 m -65.53 95.76 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -61.51 5.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.35 101.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 65' ' ' TYR . 7.2 p -121.18 141.29 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.418 ' C ' ' OD1' ' B' ' 13' ' ' ASN . 5.5 t30 -101.59 82.88 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -44.92 127.71 6.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.19 -172.27 13.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.543 ' CE1' ' SD ' ' A' ' 105' ' ' MET . 4.1 m-85 43.67 41.39 3.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -105.88 156.22 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' B' ' 19' ' ' GLN . 61.7 tt0 -142.2 134.78 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' B' ' 18' ' ' GLN . 24.1 pt20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -164.74 128.05 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -152.26 147.89 26.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.4 105.39 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -117.86 102.71 9.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -163.28 169.85 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.15 137.82 2.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 mp -81.53 175.47 10.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.805 0.336 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -96.52 152.56 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -128.11 147.66 50.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -68.69 -52.84 26.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -128.82 156.02 44.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 13' ' ' VAL . 2.4 p -72.22 115.48 39.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.75 160.67 48.85 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 9.1 p30 -74.74 0.24 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -130.58 32.11 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.543 ' CD2' ' HD2' ' A' ' 14' ' ' PRO . 1.5 t-80 -64.6 139.01 97.63 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.05 27.94 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 p -104.12 -29.35 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -114.89 152.11 32.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 27.9 m-85 -145.61 106.11 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -65.01 113.42 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -114.44 167.63 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 26' ' ' VAL . 55.4 m -134.78 99.1 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -52.3 126.6 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.668 HG11 ' HD2' ' A' ' 90' ' ' LYS . 33.5 m -127.11 -178.24 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.651 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.3 p-10 -112.44 -174.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.17 -48.16 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.78 -40.03 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.73 17.25 6.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.651 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.5 m -76.83 161.82 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -97.34 113.79 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.7 mt -95.91 -61.43 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.11 142.86 13.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -90.93 138.63 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.96 166.93 29.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -119.88 121.27 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.41 ' CG ' HD22 ' A' ' 45' ' ' LEU . 40.3 ttm -95.58 125.7 40.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.757 ' HG2' HG23 ' A' ' 41' ' ' THR . 67.0 tt0 -109.52 130.95 55.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 97' ' ' ILE . 8.2 mp -99.35 81.1 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.757 HG23 ' HG2' ' A' ' 39' ' ' GLU . 76.9 p -99.4 136.5 39.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 32.0 mt-30 -35.32 -39.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -58.36 -65.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -174.48 -177.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.538 HD11 HD21 ' A' ' 101' ' ' LEU . 16.0 mt -87.5 129.71 34.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.722 HG22 ' HG2' ' A' ' 56' ' ' ARG . 85.3 t -133.49 136.46 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.2 mt -100.84 163.96 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -132.0 110.8 11.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.52 -174.94 2.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -106.54 -62.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -93.05 -31.57 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -78.12 160.21 28.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -73.47 177.08 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.54 113.74 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.575 HG13 HG23 ' A' ' 82' ' ' THR . 43.7 t -92.38 130.55 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.722 ' HG2' HG22 ' A' ' 46' ' ' VAL . 44.8 mtp180 -125.2 166.53 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.595 ' CZ2' HG21 ' A' ' 82' ' ' THR . 10.2 m-90 -152.78 112.8 2.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.73 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.6 m-85 -40.51 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 tt -64.97 -68.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ARG . 99.9 m -48.94 -42.12 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 59' ' ' TYR . 10.7 mt -33.77 95.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.6 tpp180 -57.87 -57.58 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.869 ' HB2' HG21 ' B' ' 12' ' ' VAL . 8.4 ptp180 -146.18 145.93 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.568 ' O ' HG23 ' B' ' 12' ' ' VAL . 3.4 p90 -125.48 116.19 21.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.57 -178.83 20.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.27 163.32 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.921 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -159.74 160.68 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.0 m -41.5 -59.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -131.44 36.5 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -152.79 125.23 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.576 ' N ' HD13 ' A' ' 71' ' ' LEU . 68.5 t80 -134.76 115.03 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -127.02 165.94 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -149.96 155.73 40.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 8.1 mp0 -97.13 155.08 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.6 p -146.33 133.49 20.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.11 -139.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -123.07 -33.79 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -64.93 -13.66 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.2 p -68.75 -176.41 0.82 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.73 ' OE1' HG23 ' A' ' 82' ' ' THR . 2.8 tm0? -77.38 -55.25 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.73 HG23 ' OE1' ' A' ' 81' ' ' GLN . 4.0 p -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.8 173.19 37.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -44.36 144.5 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.28 131.76 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.696 HG22 HD12 ' B' ' 4' ' ' LEU . 49.0 mt -90.77 126.72 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -111.69 126.51 55.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -105.64 158.12 16.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -144.97 150.72 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.668 ' HD2' HG11 ' A' ' 26' ' ' VAL . 48.9 mttt -104.86 138.37 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 94' ' ' ALA . 22.5 p -163.08 -175.02 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.9 m -122.08 -23.34 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -107.36 32.65 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.43 ' HB2' ' SG ' ' A' ' 91' ' ' CYS . . . -48.88 -59.21 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -45.34 -46.75 13.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 40' ' ' LEU . 18.9 mt -69.58 -34.81 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -29.11 63.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -77.52 -31.94 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 45.4 tp -86.85 -35.13 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 45' ' ' LEU . 11.6 mt -47.56 -62.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -58.16 -29.53 65.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.26 -26.22 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.4 mt -91.73 -39.2 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 21.6 mtp -53.13 -54.26 38.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -49.49 -39.41 33.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.7 t -50.42 -30.98 13.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 50.74 53.49 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.4 m -83.46 68.76 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.718 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.9 OUTLIER -81.59 -167.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.718 ' H ' HG22 ' A' ' 110' ' ' ILE . 2.8 m-20 -74.14 47.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.17 -35.25 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.9 mtt -55.71 178.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -39.04 102.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -171.07 160.73 5.45 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.29 11.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.401 ' C ' HD12 ' A' ' 118' ' ' ILE . 71.3 t -91.12 145.67 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 117' ' ' VAL . 5.3 mp -139.74 146.26 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.9 82.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.7 p -144.05 176.57 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -103.55 113.41 26.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -138.57 172.34 13.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.4 m -131.78 177.54 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -69.25 112.21 11.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -174.44 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -119.43 172.8 7.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -132.13 160.21 36.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.2 tp -73.29 136.42 44.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -75.05 -178.59 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 pp -115.91 155.46 47.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 168.7 20.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 132' ' ' ARG . 9.2 ttp-105 -100.97 156.34 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.88 151.48 4.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -168.72 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -119.9 149.32 48.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.67 68.48 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -164.46 0.13 Allowed 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.677 2.252 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -117.14 178.13 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -86.24 -177.49 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.3 tp -127.81 140.34 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -78.52 -144.59 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -155.38 171.73 19.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.956 0.408 . . . . 0.0 110.97 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 68.3 p -132.3 177.78 7.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 145' ' ' SER . 14.1 p -139.57 162.71 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.544 ' N ' HG22 ' A' ' 144' ' ' VAL . 67.3 m -95.69 178.19 5.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 13.3 t80 -105.78 117.75 34.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ARG . . . . . 0.568 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -67.87 149.28 50.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.696 HD12 HG22 ' A' ' 86' ' ' ILE . 15.9 mt -117.81 165.67 13.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -99.7 -44.84 5.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -136.61 155.43 49.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' B' ' 9' ' ' CYS . 0.8 OUTLIER -68.97 113.49 16.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.881 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 3.03 3.03 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.513 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 19.5 t -100.64 -74.68 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.9 -42.5 1.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -95.87 90.64 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.869 HG21 ' HB2' ' A' ' 64' ' ' ARG . 5.4 p -114.35 138.45 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' B' ' 14' ' ' TYR . 10.4 p-10 -97.72 81.38 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 10.0 m-85 -34.72 134.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -119.58 -67.66 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.419 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 39.4 m-85 -76.21 -40.41 52.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.944 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -66.25 96.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.97 144.74 56.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.817 0.257 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.7 3.24 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -132.0 30.94 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -65.35 141.08 97.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.74 -35.06 13.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 p -99.34 -23.0 15.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -115.55 155.7 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 58.4 m-85 -155.19 105.55 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.08 113.55 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.4 164.15 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 26' ' ' VAL . 40.4 m -132.02 100.07 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -53.21 118.66 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 24' ' ' THR . 33.7 m -115.93 175.8 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.746 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.8 p-10 -108.19 178.51 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -44.54 -42.64 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.81 -3.44 27.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.746 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.8 m -58.53 165.82 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.89 114.59 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 13.7 mt -94.46 -53.99 3.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.99 153.46 25.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 p -94.29 147.36 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.2 34.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.47 123.21 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.483 ' CE ' HD21 ' A' ' 47' ' ' LEU . 44.2 tpp -94.03 139.32 31.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.752 ' O ' HD23 ' A' ' 45' ' ' LEU . 12.3 tt0 -120.08 132.74 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.7 HD11 HG23 ' A' ' 97' ' ' ILE . 8.9 mp -109.48 84.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.1 OUTLIER -114.01 140.04 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 11.8 mp0 -35.14 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 12.0 t -58.97 -71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -174.53 179.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.756 HD11 HD21 ' A' ' 101' ' ' LEU . 11.4 mt -88.66 124.49 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -126.35 131.77 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.879 HD12 ' CH2' ' A' ' 57' ' ' TRP . 17.5 mt -100.93 141.34 33.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.494 ' C ' HD23 ' A' ' 49' ' ' LEU . 87.3 m-70 -115.6 140.68 48.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.438 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 14.2 t -141.61 157.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' N ' HG12 ' A' ' 55' ' ' VAL . 10.5 mtt180 -137.47 151.08 48.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.879 ' CH2' HD12 ' A' ' 47' ' ' LEU . 27.5 m-90 -139.95 114.79 7.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.69 21.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.619 ' HA ' HD12 ' A' ' 62' ' ' LEU . 21.1 m-85 -52.88 -21.84 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 61' ' ' CYS . 4.3 mm? -63.62 -75.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 3.0 m -36.17 -51.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 59' ' ' TYR . 54.3 mt -34.74 96.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.534 ' NH1' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.76 -45.13 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -134.96 138.35 43.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.695 ' C ' HG23 ' B' ' 12' ' ' VAL . 23.4 p90 -140.2 108.34 5.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.98 -162.81 12.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -160.59 169.29 23.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.935 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' SER . 5.0 m-20 -174.14 165.6 4.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 70' ' ' ASN . 5.2 m -38.11 119.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.8 p-10 32.84 42.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.3 tm? -146.54 126.53 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 101' ' ' LEU . 48.3 t80 -143.83 130.79 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -148.86 168.46 22.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -151.46 146.16 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.07 131.77 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -128.01 153.22 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.534 ' N ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.47 -148.1 0.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.04 -2.32 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -84.26 -12.85 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' GLN . 10.5 p -76.94 151.53 35.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' CYS . 9.8 tt0 -37.54 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.415 HG23 HG11 ' A' ' 55' ' ' VAL . 27.3 p -47.42 -59.83 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.72 -173.57 16.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.7 129.97 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 87' ' ' PHE . . . 144.65 148.76 4.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.519 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.5 mt -93.64 152.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CE1' ' O ' ' A' ' 85' ' ' GLY . 1.0 OUTLIER -137.0 118.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.622 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.75 155.84 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -146.58 149.55 33.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -98.66 126.12 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.48 179.43 6.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 t -104.85 -24.6 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -122.98 49.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.98 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.53 -48.51 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.05 -48.17 44.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.7 HG23 HD11 ' A' ' 40' ' ' LEU . 11.5 mt -66.98 -31.94 55.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -37.75 67.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.0 -20.43 59.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.519 HD23 HD22 ' A' ' 40' ' ' LEU . 34.4 tp -92.79 -35.42 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.756 HD21 HD11 ' A' ' 45' ' ' LEU . 12.4 mt -52.75 -53.65 45.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.6 -12.52 33.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.7 -36.9 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 40' ' ' LEU . 19.3 mt -85.69 -30.17 23.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.0 mtp . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.804 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.466 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 44.1 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.874 0.369 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -91.37 122.65 34.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.8 mt -95.96 158.37 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -84.35 -39.7 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -148.94 170.11 19.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.3 t80 -74.32 117.94 65.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.53 18.84 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.2 t -102.06 160.32 14.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.75 -31.89 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -98.81 96.07 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.695 HG23 ' C ' ' A' ' 65' ' ' TYR . 6.7 p -123.4 141.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.488 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 8.9 p-10 -105.01 77.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' B' ' 13' ' ' ASN . 18.2 m-85 -36.23 133.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.482 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.767 0.236 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.81 -0.55 43.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -124.31 29.05 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.97 140.67 97.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.77 -34.82 13.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -98.3 -20.17 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 141.88 48.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -140.84 105.46 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -68.43 114.72 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.632 HG12 ' HB3' ' A' ' 91' ' ' CYS . 30.9 m -112.96 165.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 26' ' ' VAL . 98.0 m -133.06 99.16 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -49.72 137.2 16.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HG3' ' A' ' 90' ' ' LYS . 34.7 m -132.12 -179.67 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.934 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -109.94 -177.5 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.51 -38.08 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.76 -41.97 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.3 4.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.934 HG22 ' OD1' ' A' ' 27' ' ' ASP . 35.7 m -79.01 169.85 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -103.36 115.1 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.2 mt -100.32 -66.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.6 135.41 7.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -86.79 153.1 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.78 170.18 36.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.0 t -121.69 122.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.565 ' SD ' HD22 ' A' ' 45' ' ' LEU . 33.7 tpp -94.32 129.73 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 41' ' ' THR . 26.8 tt0 -113.14 130.95 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.722 HD11 HG23 ' A' ' 97' ' ' ILE . 8.5 mp -98.75 87.79 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.641 HG23 ' HG2' ' A' ' 39' ' ' GLU . 37.8 p -108.29 133.66 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . 86.3 mt-30 -34.53 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' THR . 19.5 m -62.0 -65.1 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -174.49 -179.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD22 ' SD ' ' A' ' 38' ' ' MET . 11.7 mt -87.9 116.43 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.598 HG22 ' CG ' ' A' ' 56' ' ' ARG . 87.4 t -116.79 138.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD12 ' CH2' ' A' ' 57' ' ' TRP . 17.0 mt -101.47 157.87 16.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -127.01 124.48 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 56' ' ' ARG . 23.4 t -118.75 159.65 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.598 ' CG ' HG22 ' A' ' 46' ' ' VAL . 2.1 mpp_? -141.39 153.18 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.421 ' CH2' HD12 ' A' ' 47' ' ' LEU . 14.3 m-90 -141.04 113.49 6.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.545 0.688 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 122.94 9.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.779 ' HA ' HD12 ' A' ' 62' ' ' LEU . 26.5 m-85 -45.0 -27.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.81 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.423 ' SG ' ' CG ' ' A' ' 79' ' ' ARG . 60.6 m -49.6 -43.26 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 59' ' ' TYR . 31.2 mt -41.58 97.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' CYS . 13.5 ptm180 -71.27 -38.28 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.31 156.78 42.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 7.5 p90 -151.59 124.25 8.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.97 -164.02 12.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -167.64 158.54 11.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -147.17 168.24 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -52.31 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -134.48 34.65 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.7 OUTLIER -150.17 127.73 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.634 ' N ' HD13 ' A' ' 71' ' ' LEU . 25.7 t80 -137.7 119.6 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.7 t -137.35 166.25 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -147.69 142.43 26.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -97.24 155.74 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -153.27 153.77 33.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -78.93 -133.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' CYS . 32.2 mtp180 -110.64 -48.94 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.423 ' CG ' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -36.11 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' ARG . 11.1 p -63.48 149.02 47.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 82' ' ' THR . 18.4 tt0 -43.65 -69.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 65.7 p -52.72 -37.34 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 85.71 -179.03 50.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLY . 3.8 pt20 -35.98 147.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.34 143.49 6.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.556 HG22 HD12 ' B' ' 4' ' ' LEU . 22.3 mt -101.71 144.64 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -130.06 119.73 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.93 165.97 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -156.03 136.37 13.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.56 ' HG3' HG11 ' A' ' 26' ' ' VAL . 28.2 mttm -88.31 116.73 26.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.632 ' HB3' HG12 ' A' ' 23' ' ' VAL . 5.0 p -132.49 -179.22 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 t -114.89 -19.56 10.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -119.61 43.56 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.52 -60.76 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 98' ' ' PHE . 9.3 tt0 -43.92 -57.24 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -38.36 -56.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.722 HG23 HD11 ' A' ' 40' ' ' LEU . 10.5 mt -61.35 -33.07 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -71.76 -32.73 68.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -83.23 -19.56 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.7 tt -93.77 -33.29 13.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 45' ' ' LEU . 11.0 mt -58.13 -63.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -50.86 -22.57 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.61 -30.24 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.78 -37.67 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 71.6 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.809 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.1 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.74 110.12 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.556 HD12 HG22 ' A' ' 86' ' ' ILE . 13.6 mt -82.5 169.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.585 ' HB3' ' CD2' ' B' ' 6' ' ' HIS . 44.2 mtm-85 -101.91 -41.67 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.585 ' CD2' ' HB3' ' B' ' 5' ' ' ARG . 6.9 m-70 -135.68 -179.16 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -93.46 120.36 66.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -47.23 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -56.86 140.28 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.72 -47.0 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.46 87.5 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -106.89 146.22 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 19.3 p-10 -116.1 94.0 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -48.71 140.0 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.837 0.265 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 5.59 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -133.27 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.34 140.73 88.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.643 0.735 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 54.4 Cg_endo -69.72 -26.87 27.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.9 p -105.06 -24.67 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 120.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.24 105.51 9.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG2' HG22 ' A' ' 37' ' ' VAL . 13.2 mttp -70.38 111.85 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.34 173.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.515 ' O ' HG13 ' A' ' 26' ' ' VAL . 19.4 m -142.95 105.08 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -54.96 120.66 7.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' A' ' 90' ' ' LYS . 25.5 m -118.64 163.22 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.742 ' OD1' HG22 ' A' ' 31' ' ' VAL . 6.5 p-10 -95.87 -178.57 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -41.05 59.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.97 -35.93 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.86 3.26 25.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.742 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.7 m -69.17 164.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.44 106.99 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.63 -60.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.69 146.98 18.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.3 p -90.52 148.17 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.77 169.49 36.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.53 HG22 ' HG2' ' A' ' 22' ' ' LYS . 69.7 t -127.17 121.63 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.9 tpp -93.44 128.36 39.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -110.08 133.19 53.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.736 HD11 HG23 ' A' ' 97' ' ' ILE . 6.7 mp -102.62 99.39 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' SER . 71.4 p -113.96 137.73 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -39.83 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 7.3 m -73.76 -71.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -161.36 -176.23 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 62' ' ' LEU . 10.9 mt -92.08 134.02 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.651 HG22 ' CG ' ' A' ' 56' ' ' ARG . 70.3 t -133.45 145.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.526 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 16.0 mt -109.38 162.83 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.426 ' C ' HD23 ' A' ' 49' ' ' LEU . 96.4 m-70 -133.17 108.72 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.885 0.374 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.515 HG11 ' CG2' ' A' ' 82' ' ' THR . 5.7 t -115.4 146.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.651 ' CG ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -133.92 175.06 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.732 ' HZ2' HG21 ' A' ' 82' ' ' THR . 24.3 m-90 -155.44 121.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.77 121.87 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.248 . . . . 0.0 112.377 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 62' ' ' LEU . 16.8 m-85 -41.98 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' PRO . 3.9 mm? -68.28 -68.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.9 m -43.69 -34.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 59' ' ' TYR . 17.7 mt -52.29 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -125.71 146.84 49.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 43.6 p90 -144.44 110.95 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.91 -159.5 12.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.406 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 2.7 p90 -164.24 165.97 21.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -174.19 161.22 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.9 t -41.03 128.31 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.0 p-10 32.12 36.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.6 tm? -146.3 127.57 14.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.462 ' N ' HD13 ' A' ' 71' ' ' LEU . 32.9 t80 -146.23 116.59 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -131.34 168.88 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -160.19 139.75 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -97.58 161.67 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 p -154.47 154.15 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.69 -139.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -123.36 -22.48 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -66.73 -13.95 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.0 p -60.02 175.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.36 -44.92 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.732 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 37.6 p -67.29 -32.75 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 93.6 154.22 30.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' GLY . 3.5 pt20 -35.11 132.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.05 147.17 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.493 HG22 HD12 ' B' ' 4' ' ' LEU . 68.5 mt -95.36 141.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -130.56 116.24 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.8 150.03 25.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.433 ' CD2' ' HA ' ' A' ' 25' ' ' ASN . 4.0 m-85 -142.71 143.69 32.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.544 ' HG3' HG11 ' A' ' 26' ' ' VAL . 32.5 mttp -85.16 130.17 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.2 t -169.23 111.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -59.66 -21.74 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 36.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.46 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 7.0 tt0 -52.01 -58.5 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -42.43 -43.96 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.736 HG23 HD11 ' A' ' 40' ' ' LEU . 10.0 mt -72.7 -35.73 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -73.43 -23.64 60.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 28.0 m-20 -89.71 -24.82 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.688 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.4 tt -91.05 -26.31 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.14 -55.95 23.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.5 -17.74 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.52 -34.69 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.7 mt -87.62 -42.07 12.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 37.3 mmm . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.825 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 32.4 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.493 HD12 HG22 ' A' ' 86' ' ' ILE . 13.7 mt -85.58 -178.03 6.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -107.61 -27.89 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -155.95 -177.35 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 2.3 t80 -94.39 120.23 65.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.762 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -45.62 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.415 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 8.6 m -50.41 140.64 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.92 -39.45 2.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -103.9 82.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.99 161.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.545 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 1.8 t30 -131.26 96.49 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.56 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.774 0.239 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -94.09 -1.06 54.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -103.86 -11.77 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 2.6 t-80 -44.22 120.51 3.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.09 32.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.493 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 22.7 p -97.26 -28.03 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 9.1 mptt -109.87 152.49 25.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.4 m-85 -154.83 105.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -61.95 122.64 15.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -121.04 165.47 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -135.74 110.29 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.31 130.75 48.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.8 170.72 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.71 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -105.18 -174.98 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.35 -42.97 61.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.27 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.07 0.48 26.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.71 HG22 ' OD1' ' A' ' 27' ' ' ASP . 11.5 m -60.55 165.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -103.75 115.12 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 17.6 mt -92.26 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.54 155.49 23.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.0 p -98.32 144.23 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.74 164.43 31.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -117.97 121.69 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.9 ttm -93.19 134.94 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.19 132.05 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.809 HD11 HG23 ' A' ' 97' ' ' ILE . 8.4 mp -101.85 112.13 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -127.9 139.43 52.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -38.95 -32.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.9 m -66.49 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -170.69 -176.66 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 101' ' ' LEU . 10.1 mt -89.32 132.2 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 56' ' ' ARG . 99.3 t -131.18 138.34 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.726 HD12 ' CH2' ' A' ' 57' ' ' TRP . 12.6 mt -106.81 158.17 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -126.83 119.74 27.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.825 0.345 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.594 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 40.9 t -122.18 154.25 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG2' HG22 ' A' ' 46' ' ' VAL . 28.8 mtt180 -129.8 142.71 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.726 ' CH2' HD12 ' A' ' 47' ' ' LEU . 16.5 m-90 -135.42 114.08 11.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 132.08 22.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.904 ' HA ' HD12 ' A' ' 62' ' ' LEU . 20.7 m-85 -49.86 -18.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' CYS . 5.7 mt -74.97 -73.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 63' ' ' ARG . 90.1 m -37.16 -38.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 59' ' ' TYR . 21.8 mt -40.91 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' CYS . 11.0 mmm180 -59.92 -36.03 76.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.533 ' HB2' HG21 ' B' ' 12' ' ' VAL . 9.1 ptp180 -166.88 149.59 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.508 ' C ' HG23 ' B' ' 12' ' ' VAL . 51.4 p90 -143.44 114.86 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.38 -161.55 12.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -162.08 161.34 28.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.0 m-20 -151.23 166.38 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ASP . 5.8 m -36.69 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -123.8 37.35 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.3 tm? -146.82 139.23 24.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.753 ' N ' HD13 ' A' ' 71' ' ' LEU . 45.3 t80 -145.87 121.59 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.0 t -136.32 160.24 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 5.1 p90 -147.99 149.19 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -105.98 166.21 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -148.82 153.53 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.18 -147.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.83 -27.97 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.89 -14.32 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.93 163.12 22.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -59.72 -65.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.1 p -49.83 -33.47 16.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.8 177.79 40.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -51.16 147.06 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.11 149.57 6.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 81.6 mt -98.88 148.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -133.43 124.04 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -107.58 159.99 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 3.5 m-85 -149.95 143.43 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -94.31 139.0 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.87 173.69 14.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.5 p -109.74 -12.53 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -120.34 28.38 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -40.03 -49.77 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.485 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 36.0 tt0 -53.43 -53.11 55.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -40.96 -50.12 3.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.809 HG23 HD11 ' A' ' 40' ' ' LEU . 9.8 mt -68.16 -33.36 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -76.89 -19.16 57.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 29.0 m-20 -88.86 -23.93 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.4 tp -94.68 -26.42 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 45' ' ' LEU . 12.4 mt -58.02 -59.29 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -59.34 -22.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -30.53 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.7 mt -94.2 -31.47 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 88.7 mtp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.854 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 18.7 t80 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.831 0.348 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -74.14 127.36 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 mt -100.33 178.56 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.94 -35.13 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -123.15 175.08 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 1.8 t80 -109.96 111.68 58.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' B' ' 9' ' ' CYS . 53.9 Cg_endo -69.68 -40.96 4.82 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.485 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 79.9 m -36.85 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.55 -67.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -83.61 59.42 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.533 HG21 ' HB2' ' A' ' 64' ' ' ARG . 7.4 p -70.66 143.91 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' B' ' 14' ' ' TYR . 6.0 t30 -107.71 77.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' B' ' 13' ' ' ASN . 25.1 m-85 -36.21 134.27 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.748 0.228 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.62 -1.61 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -127.1 31.66 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -62.17 139.48 96.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.72 27.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 p -106.08 -22.78 12.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -117.12 138.53 51.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -135.58 105.53 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -68.39 105.13 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.68 168.79 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 m -133.42 105.95 7.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 128.65 38.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' VAL . 27.2 m -128.92 173.95 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.627 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -104.09 -174.6 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -41.98 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.63 -35.97 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.95 24.17 5.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 26' ' ' VAL . 13.5 m -83.73 164.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -98.09 109.33 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.7 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.2 155.56 26.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -87.45 158.29 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.38 165.06 35.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.2 t -121.44 120.88 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.439 ' CE ' HD21 ' A' ' 47' ' ' LEU . 18.9 ttm -98.76 137.26 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.647 ' O ' HD23 ' A' ' 45' ' ' LEU . 40.8 tt0 -117.96 130.61 56.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.749 HD11 HG23 ' A' ' 97' ' ' ILE . 6.5 mp -106.54 91.13 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -127.41 141.25 51.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 68.4 mm-40 -35.15 -45.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -47.59 -71.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -174.25 175.11 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 62' ' ' LEU . 8.7 mt -87.57 134.23 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.02 142.31 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.966 HD12 ' CH2' ' A' ' 57' ' ' TRP . 15.4 mt -122.36 125.63 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -104.87 100.09 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.432 ' N ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HB ' ' CH2' ' A' ' 57' ' ' TRP . 5.1 t -142.24 146.24 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -120.05 147.82 44.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.966 ' CH2' HD12 ' A' ' 47' ' ' LEU . 25.9 m-90 -135.73 112.09 10.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.79 117.82 5.31 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.44 ' HD1' HD12 ' A' ' 62' ' ' LEU . 17.0 m-85 -38.97 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' PRO . 4.8 mt -58.55 -50.73 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.7 p -63.82 -34.46 77.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.66 HD11 HD12 ' A' ' 45' ' ' LEU . 16.8 mt -59.78 108.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 ttt85 -111.3 -54.08 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HD2' ' CD2' ' B' ' 7' ' ' PHE . 4.0 ttp180 -105.82 105.63 15.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 35.0 p90 -135.57 115.39 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 -153.62 8.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -158.37 174.49 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -172.08 -175.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 104.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 6.5 t30 52.31 36.62 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.657 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.8 OUTLIER -145.84 133.45 20.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.657 ' N ' HD13 ' A' ' 71' ' ' LEU . 68.3 t80 -146.03 118.64 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -132.93 166.74 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -157.3 160.96 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -97.22 166.36 11.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 t -152.83 145.5 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -77.33 -151.75 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -28.46 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -63.38 -15.16 56.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.8 p -78.33 163.5 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -53.82 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.513 ' CG2' HG11 ' A' ' 55' ' ' VAL . 73.8 p -50.47 -53.42 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.0 175.21 26.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.7 mt-30 -41.23 149.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.41 141.31 4.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.436 HG22 HD12 ' B' ' 4' ' ' LEU . 77.2 mt -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.01 126.18 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.507 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -106.65 158.8 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -150.23 140.65 22.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -93.3 127.97 39.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 p -162.02 128.39 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -64.35 -11.15 29.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -111.32 31.08 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.4 -51.5 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.409 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 13.0 tt0 -53.88 -54.26 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.37 -53.13 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.749 HG23 HD11 ' A' ' 40' ' ' LEU . 10.6 mt -63.97 -35.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -23.55 59.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 83.1 m-20 -86.77 -22.87 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.5 tp -93.98 -30.92 14.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.644 HD21 HD11 ' A' ' 45' ' ' LEU . 10.6 mt -56.65 -60.43 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -54.66 -29.63 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -39.18 90.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.79 -26.45 44.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 10.5 mmm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 14.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.472 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 11.5 ptp180 -78.22 127.58 32.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 88' ' ' ALA . 31.4 mt -104.25 166.77 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -102.59 -41.26 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -128.3 168.98 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.462 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 2.2 t80 -89.61 117.52 68.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.651 0.738 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.35 8.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' B' ' 10' ' ' GLY . 2.9 t -117.37 160.58 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.49 ' N ' ' SG ' ' B' ' 9' ' ' CYS . . . -129.96 -24.75 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.86 53.26 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.92 150.25 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 6.3 t30 -124.23 77.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -46.71 144.15 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.761 0.234 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.96 8.28 30.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.7 8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.476 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -44.99 139.26 3.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.331 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 p -95.55 -24.73 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -116.42 144.99 43.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -140.22 105.1 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -70.45 115.26 9.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -112.62 165.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 26' ' ' VAL . 58.5 m -134.8 99.18 4.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -53.2 130.75 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 24' ' ' THR . 33.4 m -130.33 173.88 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.691 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.4 p-10 -104.05 -178.13 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.93 -45.49 51.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.71 -41.11 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.06 3.28 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.691 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.5 m -66.15 164.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -100.22 117.09 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.8 mt -100.43 -64.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.72 124.28 3.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -84.15 140.17 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.09 170.88 28.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -117.07 123.79 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.525 ' CG ' HD22 ' A' ' 45' ' ' LEU . 37.2 tpp -95.87 131.51 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HG2' HG23 ' A' ' 41' ' ' THR . 20.3 tt0 -115.55 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.743 HD11 HG23 ' A' ' 97' ' ' ILE . 8.0 mp -98.87 95.33 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 39' ' ' GLU . 76.2 p -112.38 137.41 50.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.4 mp0 -37.74 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.5 t -69.38 -67.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -170.39 -179.04 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 101' ' ' LEU . 8.3 mt -88.28 130.17 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 56' ' ' ARG . 98.5 t -129.74 142.48 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' A' ' 54' ' ' ALA . 23.8 mt -105.16 160.78 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.546 ' C ' HD12 ' A' ' 49' ' ' LEU . 95.5 m-70 -131.92 103.02 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 49' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.571 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 7.6 t -128.34 151.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HG2' HG22 ' A' ' 46' ' ' VAL . 8.9 mtp85 -130.76 134.94 47.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.571 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 21.7 m-90 -127.12 112.95 21.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.74 121.13 7.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.638 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.0 m-85 -39.45 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' PRO . 4.0 mm? -67.64 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.3 m -49.28 -32.18 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 59' ' ' TYR . 10.8 mt -56.22 99.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -69.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.75 ' HB2' HG21 ' B' ' 12' ' ' VAL . 14.1 ptt180 -127.16 160.74 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 8.0 p90 -144.84 119.43 9.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.73 -174.19 20.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.35 174.81 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -173.43 173.89 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 p -51.19 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -125.33 35.91 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.734 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.7 OUTLIER -145.17 132.35 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.734 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.0 t80 -143.25 110.51 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -130.4 161.89 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -152.04 142.98 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -104.39 147.19 27.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -145.34 152.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.64 -166.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -100.51 -15.9 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' N ' ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -64.34 -12.95 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -80.17 171.45 15.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -58.75 -68.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.535 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 32.0 p -46.1 -39.64 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 169.34 43.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.413 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 14.5 pt20 -40.53 116.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.82 143.26 3.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.548 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.502 HG22 HD12 ' B' ' 4' ' ' LEU . 42.7 mt -94.97 152.29 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 20.1 m-85 -140.54 123.71 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.504 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -104.3 156.88 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 12.6 m-85 -150.7 135.22 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -84.45 129.0 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.42 116.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -60.27 -14.8 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.423 ' NE ' ' HG2' ' A' ' 96' ' ' GLU . 12.7 tpt180 -99.25 29.16 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -62.16 -67.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 8.8 tt0 -33.18 -62.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HG2' ' NE ' ' A' ' 93' ' ' ARG . 1.2 mp0 -38.38 -53.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.743 HG23 HD11 ' A' ' 40' ' ' LEU . 21.0 mt -61.67 -33.24 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -76.58 -18.59 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -92.27 -22.99 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.8 tt -93.46 -32.48 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 45' ' ' LEU . 11.2 mt -57.64 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -49.22 -29.63 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.43 -33.6 74.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.4 mt -89.84 -32.38 16.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.4 mmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.871 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.9 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -87.21 115.15 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.502 HD12 HG22 ' A' ' 86' ' ' ILE . 12.9 mt -88.54 167.62 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -110.55 -42.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -127.2 150.0 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.428 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 1.9 t80 -72.86 117.25 58.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -42.3 3.55 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 85.3 m -83.6 98.66 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.41 -43.52 87.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.79 89.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.75 HG21 ' HB2' ' A' ' 64' ' ' ARG . 12.0 p -113.57 151.06 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.572 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 24.1 p-10 -126.8 94.71 4.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -47.2 137.68 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.797 0.249 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -121.17 13.74 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -125.58 0.26 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -43.79 133.45 3.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -18.94 36.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.8 p -113.02 -29.04 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -108.06 130.72 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CD1' HG12 ' A' ' 97' ' ' ILE . 40.6 m-85 -130.74 108.08 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.64 ' HG2' HG22 ' A' ' 37' ' ' VAL . 22.7 mttm -63.24 110.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -105.91 174.03 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 86.9 m -136.61 109.32 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.19 118.27 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.574 HG11 ' HD2' ' A' ' 90' ' ' LYS . 26.9 m -122.12 173.53 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.899 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.7 p-10 -108.26 -176.61 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -40.08 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.75 -34.27 76.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.56 8.22 23.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.899 HG22 ' OD1' ' A' ' 27' ' ' ASP . 10.6 m -69.62 164.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -101.8 113.28 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -94.21 -57.6 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.08 144.74 13.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -86.42 145.09 26.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.47 169.52 31.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.64 HG22 ' HG2' ' A' ' 22' ' ' LYS . 84.3 t -125.5 123.46 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.6 tpp -94.91 133.92 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -121.06 133.58 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 97' ' ' ILE . 7.8 mp -102.66 125.15 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -139.4 151.51 46.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -54.17 -14.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.95 -64.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.91 -178.46 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 101' ' ' LEU . 11.6 mt -88.7 141.78 28.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.74 149.66 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.584 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 12.5 mt -122.83 147.08 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.475 ' C ' HD12 ' A' ' 49' ' ' LEU . 97.2 m-70 -124.52 116.02 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD12 ' C ' ' A' ' 48' ' ' HIS . 6.8 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 t -105.4 146.68 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.26 161.02 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.584 ' CZ3' HD12 ' A' ' 47' ' ' LEU . 19.9 m-90 -146.52 113.81 4.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 131.01 20.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.535 ' HA ' HD12 ' A' ' 62' ' ' LEU . 24.2 m-85 -48.46 -27.84 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.32 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.7 p -53.61 -38.96 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 59' ' ' TYR . 35.6 mt -47.49 88.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.4 mmm-85 -53.8 -40.75 66.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -156.96 156.8 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.447 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 43.7 p90 -147.09 109.23 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.45 -158.56 11.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -167.23 170.51 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -172.71 163.26 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' LEU . 46.2 t -42.55 129.01 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 69' ' ' SER . 33.2 t30 32.87 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.3 tm? -153.27 126.47 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.434 ' N ' HD13 ' A' ' 71' ' ' LEU . 12.9 t80 -145.99 117.97 8.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.1 t -131.04 167.32 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -152.8 142.05 21.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -98.6 154.87 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -149.56 145.29 26.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.03 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 5.1 ppt_? -105.45 -17.04 14.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -67.6 -12.81 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' GLN . 7.5 p -78.31 145.81 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' CYS . 14.0 tt0 -34.53 -70.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 71.5 p -46.1 -56.75 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 119.61 -173.92 15.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -57.95 132.33 53.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.0 148.93 4.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.1 mt -100.93 149.88 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.371 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -136.79 135.57 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.1 148.65 42.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -141.42 137.23 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.574 ' HD2' HG11 ' A' ' 26' ' ' VAL . 73.3 mttt -84.46 147.33 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.0 178.56 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -111.63 -21.89 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -118.8 45.56 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.76 79.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.88 -53.56 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -44.2 -45.22 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.635 HG23 HD11 ' A' ' 40' ' ' LEU . 11.0 mt -71.7 -34.18 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -76.84 -20.81 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -90.01 -22.58 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 tt -90.95 -38.99 12.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.491 HD21 HD11 ' A' ' 45' ' ' LEU . 12.1 mt -50.66 -53.57 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -63.75 -13.88 47.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -83.16 -30.92 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.97 -32.83 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 81.6 mtp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.883 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 47.9 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -83.95 114.41 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.47 168.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -104.2 -34.4 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.28 173.01 12.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.5 t80 -83.03 119.5 74.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.722 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -5.09 15.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.473 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.5 t -111.08 158.92 18.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.14 -26.15 1.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -99.97 82.55 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 65' ' ' TYR . 13.9 p -105.74 151.38 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.7 t30 -120.54 86.45 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -39.05 151.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.846 0.269 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.14 -5.46 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -128.54 41.94 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 1.8 t-80 -75.57 134.95 72.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.75 -22.18 32.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.546 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 25.7 p -107.57 -27.72 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 1.6 mppt? -113.31 159.21 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.5 m-85 -157.03 105.02 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.6 ' HG3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.44 143.49 34.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.64 174.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.464 ' O ' HG13 ' A' ' 26' ' ' VAL . 60.0 m -150.35 116.7 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -63.42 107.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 24' ' ' THR . 16.2 m -112.19 163.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.726 ' OD1' HG22 ' A' ' 31' ' ' VAL . 22.2 p-10 -102.33 -176.45 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.54 ' OD1' HD23 ' B' ' 4' ' ' LEU . 3.4 m-20 -47.0 -49.42 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.65 -32.92 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 0.04 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.726 HG22 ' OD1' ' A' ' 27' ' ' ASP . 18.4 m -58.54 164.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG2' HG21 ' A' ' 24' ' ' THR . 25.9 mt-10 -95.5 103.53 15.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' B' ' 2' ' ' PHE . 24.0 mt -80.63 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.79 131.71 5.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 p -86.98 134.7 33.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.35 168.11 35.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.6 HG22 ' HG3' ' A' ' 22' ' ' LYS . 59.4 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.531 ' CG ' HD22 ' A' ' 45' ' ' LEU . 22.8 tpp -86.11 128.44 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.555 ' HG2' HG23 ' A' ' 41' ' ' THR . 43.5 tt0 -114.17 130.65 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.796 HD11 HG23 ' A' ' 97' ' ' ILE . 9.1 mp -99.72 88.47 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' HG2' ' A' ' 39' ' ' GLU . 18.3 p -108.01 135.18 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.2 mp0 -36.04 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 41' ' ' THR . 18.7 m -66.97 -65.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -172.82 -177.68 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.548 HD11 HD21 ' A' ' 101' ' ' LEU . 11.3 mt -88.85 116.1 26.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.753 HG22 ' HG2' ' A' ' 56' ' ' ARG . 88.6 t -118.25 137.78 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.91 147.06 26.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.94 116.8 26.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.861 0.363 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.482 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 11.0 t -93.49 143.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.753 ' HG2' HG22 ' A' ' 46' ' ' VAL . 56.4 mtt180 -126.69 149.51 49.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.482 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.6 m-90 -138.26 112.55 8.69 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 125.11 11.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.98 -21.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.96 -48.1 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.73 -33.83 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 62' ' ' LEU . 10.7 mt -57.29 90.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -80.66 -53.87 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.84 ' HG3' HG21 ' B' ' 12' ' ' VAL . 59.5 ttp180 -120.45 127.6 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.608 ' O ' HG23 ' B' ' 12' ' ' VAL . 18.1 p90 -139.48 117.32 11.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.01 -164.63 17.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -165.76 149.07 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -141.71 169.24 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -43.56 -65.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -125.07 37.35 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -151.8 120.73 6.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.505 ' N ' HD13 ' A' ' 71' ' ' LEU . 13.1 t80 -131.21 106.01 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.1 t -119.18 160.18 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.49 139.56 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.97 157.09 16.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 m -152.67 152.15 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.39 -150.44 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.69 -31.73 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -48.52 -26.23 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.0 p -67.67 166.58 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -58.76 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.449 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 29.8 p -49.82 -46.36 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.41 -179.76 22.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.64 158.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.16 149.83 9.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -90.71 145.54 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -126.86 118.33 24.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -99.34 157.12 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -153.05 135.89 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -86.12 119.45 26.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.0 t -138.5 167.71 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -100.54 -47.07 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -98.02 53.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -55.2 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 98' ' ' PHE . 12.1 tt0 -35.12 -61.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 95' ' ' GLU . 6.0 mm-40 -37.39 -57.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.796 HG23 HD11 ' A' ' 40' ' ' LEU . 16.4 mt -58.5 -32.08 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.24 -32.36 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -83.44 -26.28 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 100' ' ' LEU . 2.2 tt -85.78 -36.65 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.548 HD21 HD11 ' A' ' 45' ' ' LEU . 11.2 mt -47.45 -68.53 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -39.65 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.32 -37.16 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.472 HD11 HD22 ' A' ' 100' ' ' LEU . 34.0 mt -85.64 -33.97 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.6 mtp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' B' ' 3' ' ' ARG . 56.5 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.854 0.359 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.658 ' HE ' ' N ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.35 119.85 39.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 88' ' ' ALA . 11.6 mt -91.53 167.77 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -104.35 -42.46 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -137.62 157.92 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -76.09 116.85 59.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -63.82 155.81 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.32 -67.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.48 98.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.382 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.84 HG21 ' HG3' ' A' ' 64' ' ' ARG . 2.6 p -120.75 133.01 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.523 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 5.8 t30 -110.8 80.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' B' ' 13' ' ' ASN . 33.4 m-85 -35.78 144.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.748 0.228 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.85 1.68 14.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -132.09 35.21 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -67.25 139.45 94.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.8 -28.7 24.72 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.0 p -98.12 -33.33 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 151.41 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -145.62 105.87 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -67.36 119.9 12.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.77 166.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -131.36 117.33 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.5 106.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 32' ' ' GLU . 33.3 m -120.44 164.48 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.52 -174.02 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.649 ' HA ' HD21 ' B' ' 4' ' ' LEU . 18.2 t70 -52.48 -48.8 65.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.65 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.25 1.83 4.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 26' ' ' VAL . 2.8 t -54.09 154.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.483 ' HA ' HG12 ' A' ' 26' ' ' VAL . 48.0 mt-10 -103.72 107.15 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.31 -63.96 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.16 171.44 23.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -106.72 151.56 24.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.22 163.6 35.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.07 121.32 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.524 ' CG ' HD22 ' A' ' 45' ' ' LEU . 34.1 tpp -92.0 130.26 37.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' HG2' HG23 ' A' ' 41' ' ' THR . 51.6 tt0 -112.26 131.48 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.699 HD11 HG23 ' A' ' 97' ' ' ILE . 8.2 mp -99.43 92.86 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 39' ' ' GLU . 77.7 p -113.2 134.86 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' THR . 15.6 mm-40 -34.77 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' THR . 16.7 t -62.97 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -171.8 179.1 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.02 HD11 HD21 ' A' ' 101' ' ' LEU . 12.8 mt -87.6 130.76 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -134.3 142.36 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.3 mt -104.04 165.81 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -133.54 109.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.429 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 41.4 t -101.69 134.04 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -123.35 170.06 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.518 ' CZ2' HG21 ' A' ' 82' ' ' THR . 7.3 m-90 -155.53 112.64 2.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.609 0.718 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.76 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' PRO . 24.3 m-85 -34.81 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 58' ' ' PRO . 2.0 tt -54.59 -61.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 p -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 84.1 mt -59.51 80.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 70.8 mtt180 -82.45 -54.8 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.985 ' HG3' HG21 ' B' ' 12' ' ' VAL . 48.3 ttp180 -104.98 118.11 35.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.573 ' O ' HG23 ' B' ' 12' ' ' VAL . 24.3 p90 -138.41 118.27 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.65 -160.24 14.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -164.32 175.09 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -169.27 169.07 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -40.5 -63.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -132.16 43.43 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.1 tm? -150.44 125.52 9.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.6 ' N ' HD13 ' A' ' 71' ' ' LEU . 21.3 t80 -134.84 115.3 13.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.0 t -129.26 167.07 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -156.31 154.23 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.633 ' OE2' HD11 ' A' ' 86' ' ' ILE . 4.1 mm-40 -97.12 162.41 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 98.7 p -152.89 135.82 15.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.33 -127.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -128.4 -47.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -49.59 -23.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.8 p -63.41 174.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.826 ' OE1' HG23 ' A' ' 82' ' ' THR . 4.6 tm0? -68.34 -62.05 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.826 HG23 ' OE1' ' A' ' 81' ' ' GLN . 6.8 p -56.85 -36.08 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 77.37 171.03 35.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' GLY . 38.6 mt-30 -33.74 133.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.22 133.61 3.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.633 HD11 ' OE2' ' A' ' 75' ' ' GLU . 70.7 mt -91.03 145.99 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.87 122.74 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.34 145.22 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 89' ' ' PHE . 1.9 m-85 -137.68 146.63 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -90.71 115.24 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.1 t -130.96 151.37 51.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -80.58 -35.34 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -110.82 46.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.19 -55.01 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 10.1 tt0 -47.9 -57.78 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.26 -55.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.699 HG23 HD11 ' A' ' 40' ' ' LEU . 13.4 mt -59.87 -32.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -75.5 -25.6 57.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -88.91 -24.61 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.576 ' O ' HD23 ' A' ' 100' ' ' LEU . 2.4 tt -91.34 -30.72 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.02 HD21 HD11 ' A' ' 45' ' ' LEU . 10.9 mt -55.24 -64.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -49.91 -33.68 18.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.57 -37.06 77.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.9 mt -88.88 -41.4 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 61.3 mtp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.816 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 31.0 t80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -94.43 116.85 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.649 HD21 ' HA ' ' A' ' 28' ' ' ASP . 14.2 mt -84.42 171.6 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -113.3 -43.01 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -123.89 148.9 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.8 114.99 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.76 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -62.08 146.44 50.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.43 0.53 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.09 92.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.985 HG21 ' HG3' ' A' ' 64' ' ' ARG . 6.2 p -114.47 140.38 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.464 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 4.0 t30 -121.49 84.16 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' B' ' 13' ' ' ASN . 42.7 m-85 -36.33 145.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.788 0.245 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.23 1.98 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -131.17 34.82 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.529 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 1.8 t-80 -68.77 136.56 90.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.557 0.694 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -31.6 20.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.454 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 41.4 p -100.28 -21.05 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -116.33 135.93 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -139.73 107.39 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -69.19 123.29 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.92 -175.39 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 26' ' ' VAL . 97.9 m -151.98 106.03 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -51.45 128.64 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 24' ' ' THR . 34.5 m -133.59 167.03 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.708 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -104.64 -179.39 3.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.35 -52.76 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB2' HG13 ' A' ' 31' ' ' VAL . 7.5 mt-10 -59.21 -25.78 64.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.48 -0.92 46.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.708 HG22 ' OD1' ' A' ' 27' ' ' ASP . 5.7 m -55.5 163.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -104.92 108.8 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.29 -61.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.72 127.59 4.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -84.06 142.29 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.62 170.83 31.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.42 124.13 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.0 ttm -98.05 121.52 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.626 ' HG2' HG23 ' A' ' 41' ' ' THR . 62.6 tt0 -110.21 130.63 55.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.501 HD11 HG23 ' A' ' 97' ' ' ILE . 8.1 mp -97.53 91.2 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.626 HG23 ' HG2' ' A' ' 39' ' ' GLU . 36.7 p -108.74 135.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -38.19 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.8 m -66.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -172.08 179.56 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD12 HD11 ' A' ' 62' ' ' LEU . 10.2 mt -87.9 127.89 35.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.8 t -125.59 148.04 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 47' ' ' LEU . 12.2 mt -115.28 152.58 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.26 109.57 12.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.498 ' N ' HD23 ' A' ' 49' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.82 0.343 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.593 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 4.7 t -117.72 157.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -136.6 157.58 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.593 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 11.8 m-90 -152.73 113.98 2.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 125.63 12.41 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.799 ' HA ' HD12 ' A' ' 62' ' ' LEU . 17.3 m-85 -42.6 -28.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.49 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m -48.3 -43.97 33.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 59' ' ' TYR . 45.1 mt -40.71 94.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' CYS . 47.1 mtt180 -53.98 -49.47 68.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.497 ' HD3' HG21 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -152.31 164.8 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.604 ' O ' HG23 ' B' ' 12' ' ' VAL . 46.3 p90 -141.87 123.47 15.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.8 -164.51 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 4.4 p90 -162.38 170.26 19.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.89 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' SER . 25.0 m-20 -163.97 165.51 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' ASP . 26.1 t -37.75 -65.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -131.46 37.08 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.5 tm? -145.08 140.0 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.662 ' N ' HD13 ' A' ' 71' ' ' LEU . 37.2 t80 -145.64 119.35 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.6 t -132.55 155.1 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -144.95 144.31 30.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -100.29 143.66 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -130.08 153.63 48.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.85 -138.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -124.85 -41.5 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 3.2 ptp180 -58.06 -15.81 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.13 155.15 11.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 82' ' ' THR . 9.3 tt0 -45.46 -67.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.463 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 19.1 p -58.3 -43.54 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.89 -178.47 27.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.5 139.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.87 134.8 2.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.522 HG22 HD12 ' B' ' 4' ' ' LEU . 48.8 mt -93.97 134.98 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.52 122.13 37.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.19 155.06 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -145.71 154.39 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HG3' HG11 ' A' ' 26' ' ' VAL . 41.2 mttm -102.47 132.44 48.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 43.5 t -161.14 161.95 31.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 t -92.14 -40.39 11.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -92.5 35.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.593 ' HA ' HD12 ' A' ' 97' ' ' ILE . . . -58.64 -32.94 69.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.432 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 39.4 tt0 -66.14 -59.74 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -48.05 -22.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 94' ' ' ALA . 80.0 mt -78.94 -33.92 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -74.74 -43.78 53.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.585 ' OD1' ' CZ ' ' A' ' 98' ' ' PHE . 61.8 m-20 -66.66 -37.42 84.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.3 tp -73.99 -34.8 64.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.514 HD21 HD11 ' A' ' 45' ' ' LEU . 10.7 mt -54.32 -49.6 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.51 ' NE2' ' ND2' ' B' ' 13' ' ' ASN . 14.7 pt20 -67.21 -18.74 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.35 -29.62 34.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.19 -39.7 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.7 mtp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.839 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 13.0 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.876 0.37 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -82.15 129.99 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.522 HD12 HG22 ' A' ' 86' ' ' ILE . 13.4 mt -94.05 -179.32 4.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.49 -27.2 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -143.16 164.09 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.9 t80 -89.87 117.51 68.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.466 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 63.6 m -50.85 139.09 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.7 -52.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -80.87 98.98 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 65' ' ' TYR . 7.6 p -120.72 137.89 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.554 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 9.0 p-10 -116.21 83.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 47.1 m-85 -34.35 149.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.794 0.248 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.65 2.55 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 4.8 t30 -111.34 -3.13 15.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -42.12 132.01 2.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' O ' ' CZ ' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.78 -33.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 p -94.33 -21.29 19.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.38 135.57 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 18' ' ' PRO . 65.2 m-85 -136.02 118.82 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -83.55 113.37 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.88 -175.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.623 ' O ' HG13 ' A' ' 26' ' ' VAL . 96.3 m -159.18 109.81 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.98 112.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.693 HG11 ' HG3' ' A' ' 90' ' ' LYS . 31.9 m -117.09 178.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.606 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.1 p-10 -115.31 -175.76 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.21 -48.85 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.55 -38.86 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.7 16.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.606 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.6 m -62.89 164.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' OE2' HG21 ' A' ' 24' ' ' THR . 28.0 mt-10 -100.43 105.47 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.79 -60.13 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.23 129.32 4.52 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -84.15 142.04 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.94 169.61 34.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -120.65 121.1 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.4 tpp -91.52 131.8 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -118.23 130.66 56.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.764 HD11 HG23 ' A' ' 97' ' ' ILE . 6.3 mp -100.69 97.22 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' GLN . 50.7 p -113.06 137.92 50.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.9 mp0 -34.67 -37.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' THR . 32.7 m -62.18 -67.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -171.64 -175.34 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD11 HD21 ' A' ' 101' ' ' LEU . 15.4 mt -88.18 133.8 33.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.1 138.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 mt -100.79 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -130.25 108.37 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.587 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 21.4 t -108.17 151.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -139.68 160.86 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 10.7 m-90 -151.83 114.39 2.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.74 123.59 10.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 62' ' ' LEU . 20.7 m-85 -39.43 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 mt -66.3 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.2 m -44.38 -39.19 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 59' ' ' TYR . 62.3 mt -50.29 112.75 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -95.77 -32.62 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.69 130.69 15.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 65' ' ' TYR . 53.4 p90 -143.74 108.67 4.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.43 -162.69 11.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 12.8 p90 -147.99 172.71 13.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -170.0 -175.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -63.24 109.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 44.85 32.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -138.94 126.94 22.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.432 ' N ' HD13 ' A' ' 71' ' ' LEU . 44.6 t80 -136.16 114.41 11.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -133.66 157.77 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -149.71 138.65 21.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.55 159.42 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.8 m -154.49 153.48 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.29 -153.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -15.82 12.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.67 -13.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.77 178.56 4.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -66.42 -70.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.583 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 52.7 p -50.84 -33.0 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 -171.4 30.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -60.93 155.88 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.56 148.91 7.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.9 mt -98.31 126.62 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HE2' ' HG1' ' A' ' 82' ' ' THR . 7.5 m-85 -110.85 123.34 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.502 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.99 154.06 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.4 m-85 -148.5 146.97 28.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.693 ' HG3' HG11 ' A' ' 26' ' ' VAL . 70.2 mttt -89.25 116.35 27.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.9 t -126.99 166.05 18.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.3 m -93.79 -36.2 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 49.1 mtp180 -112.44 47.81 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -44.84 -54.58 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 98' ' ' PHE . 24.5 tt0 -51.89 -57.02 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.476 ' CG ' ' HB3' ' A' ' 93' ' ' ARG . 26.6 mm-40 -38.36 -55.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.764 HG23 HD11 ' A' ' 40' ' ' LEU . 21.2 mt -59.33 -33.79 52.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -77.89 -21.28 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -91.55 -28.08 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.95 -35.4 20.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 45' ' ' LEU . 11.1 mt -47.34 -64.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -53.52 -33.1 53.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.56 -26.02 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.1 mt -89.68 -34.02 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mtt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.52 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 37.1 t80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.52 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 2.0 mpp_? -105.89 136.33 45.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 29.1 mt -105.76 166.89 10.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -103.06 -40.16 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -131.19 127.96 39.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.0 t80 -51.85 120.17 15.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.662 0.744 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.24 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.468 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 75.8 m -67.91 127.58 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.67 -77.42 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -60.05 113.66 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 65' ' ' TYR . 13.6 p -133.63 152.77 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.9 t30 -131.19 80.05 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 13' ' ' ASN . 30.4 m-85 -37.59 144.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.768 0.236 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.17 -0.79 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -133.43 38.52 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.574 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.3 t-80 -71.09 142.68 87.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.8 -45.59 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.2 p -85.94 -27.17 25.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HE2' ' ND1' ' A' ' 17' ' ' HIS . 1.6 mppt? -109.24 141.17 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 18' ' ' PRO . 97.0 m-85 -139.51 106.2 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -68.76 110.08 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -113.71 165.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.6 m -133.9 103.13 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.412 HD21 HD12 ' A' ' 33' ' ' LEU . 1.1 t30 -53.78 126.47 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 31' ' ' VAL . 23.9 m -125.7 -179.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.748 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.6 p-10 -108.7 -176.6 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.55 ' HA ' HD21 ' B' ' 4' ' ' LEU . 0.7 OUTLIER -53.9 -40.31 66.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.94 -35.52 80.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.84 17.04 8.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.748 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.4 m -78.27 164.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -99.77 108.83 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.412 HD12 HD21 ' A' ' 25' ' ' ASN . 31.0 mt -90.61 -56.45 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.77 143.4 10.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -84.27 142.97 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -145.08 162.63 28.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -112.18 122.07 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.7 tpp -99.8 132.48 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.587 ' HG2' HG23 ' A' ' 41' ' ' THR . 28.6 tt0 -123.48 130.99 53.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.665 HD22 HD23 ' A' ' 100' ' ' LEU . 8.2 mp -101.05 93.02 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.587 HG23 ' HG2' ' A' ' 39' ' ' GLU . 60.6 p -108.5 135.16 50.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -40.4 -26.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' THR . 71.4 m -72.11 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -174.11 -179.22 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.665 HD11 HD21 ' A' ' 101' ' ' LEU . 12.8 mt -91.48 132.7 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -124.34 145.62 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.5 HD12 ' CH2' ' A' ' 57' ' ' TRP . 9.2 mt -123.22 140.67 52.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.515 ' C ' HD13 ' A' ' 49' ' ' LEU . 85.5 m-70 -130.26 119.22 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.909 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.462 ' CG1' ' CG2' ' A' ' 82' ' ' THR . 45.1 t -83.85 132.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -110.85 139.56 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.5 ' CH2' HD12 ' A' ' 47' ' ' LEU . 6.6 m-90 -123.94 111.86 28.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.13 3.27 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -43.12 -25.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.14 -65.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 63' ' ' ARG . 78.8 m -48.74 -43.99 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' CYS . 13.8 mt -35.85 93.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' CYS . 41.2 mmm-85 -67.41 -48.72 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HB2' HG21 ' B' ' 12' ' ' VAL . 7.5 ptt-85 -144.29 143.12 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.482 ' C ' HG23 ' B' ' 12' ' ' VAL . 28.7 p90 -139.27 112.71 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.13 -164.71 20.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.556 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -163.38 173.25 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.14 164.15 17.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -41.94 -58.87 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.26 39.95 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -153.31 127.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -141.22 112.73 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.407 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . 26.2 t -131.13 163.85 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -148.32 137.66 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 15.9 tt0 -97.32 143.88 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -132.27 153.11 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.02 -143.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -113.09 -49.03 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -53.23 -16.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.39 143.41 49.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 82' ' ' THR . 4.0 tm0? -41.25 -47.04 3.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.491 HG23 ' OE1' ' A' ' 81' ' ' GLN . 64.9 p -69.86 -51.83 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 171.71 21.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -47.5 132.8 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.91 134.96 2.98 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 92.1 mt -91.94 138.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -125.98 125.33 42.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -112.95 167.23 10.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 9.1 m-85 -159.09 140.31 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -90.03 124.51 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.74 -176.55 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -117.06 -22.49 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -114.07 42.51 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -39.35 -55.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.46 -49.0 7.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.656 HG23 HD11 ' A' ' 40' ' ' LEU . 15.9 mt -66.93 -32.71 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -28.77 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -82.59 -27.76 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.665 HD23 HD22 ' A' ' 40' ' ' LEU . 62.7 tp -87.87 -41.92 12.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.665 HD21 HD11 ' A' ' 45' ' ' LEU . 12.0 mt -45.72 -62.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -54.23 -27.18 32.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.19 -34.15 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.6 -31.63 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 11.0 mtp . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.816 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.6 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.23 107.29 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 28' ' ' ASP . 16.2 mt -79.82 -178.08 6.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -125.66 -37.23 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -131.7 139.18 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.12 112.97 10.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -48.27 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 98.2 m -66.66 96.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.89 -60.61 8.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -60.48 113.5 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 64' ' ' ARG . 13.8 p -136.24 145.13 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 5.4 p-10 -121.84 83.51 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -44.51 125.03 4.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.77 0.237 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.0 -0.94 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -129.02 27.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.11 140.19 87.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.79 -31.08 21.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -100.79 -20.38 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -119.28 145.53 46.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -147.65 108.27 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 146.42 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.526 ' O ' HG13 ' A' ' 26' ' ' VAL . 85.9 m -125.96 105.29 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' OD1' HD12 ' A' ' 33' ' ' LEU . 2.1 t-20 -52.62 118.25 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 31' ' ' VAL . 35.0 m -116.73 171.96 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.749 ' OD1' HG22 ' A' ' 31' ' ' VAL . 12.2 p-10 -107.7 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -46.25 -36.09 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.72 -35.27 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 90' ' ' LYS . . . 110.47 7.91 25.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.749 HG22 ' OD1' ' A' ' 27' ' ' ASP . 11.6 m -71.15 170.05 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.182 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -105.08 111.42 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD12 ' OD1' ' A' ' 25' ' ' ASN . 3.7 mt -89.44 -61.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.98 163.19 25.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -104.08 152.99 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.06 170.45 37.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.7 128.13 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.432 ' HE1' ' HE2' ' A' ' 74' ' ' PHE . 33.4 ttm -104.41 137.45 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.557 ' HG2' HG23 ' A' ' 41' ' ' THR . 55.5 tt0 -124.74 132.86 53.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.779 HD11 HG23 ' A' ' 97' ' ' ILE . 7.9 mp -101.08 88.1 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.557 HG23 ' HG2' ' A' ' 39' ' ' GLU . 66.7 p -102.08 138.2 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -39.06 -26.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 m -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -167.42 -178.2 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.646 HD12 HD11 ' A' ' 62' ' ' LEU . 14.9 mt -88.42 132.76 34.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.6 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 13.1 mt -112.75 161.99 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -133.26 126.65 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.759 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 8.1 t -96.87 147.21 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 139.55 45.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.759 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.2 m-90 -133.2 115.14 13.89 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.72 10.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -43.14 -35.17 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.77 -55.56 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -63.57 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.646 HD11 HD12 ' A' ' 45' ' ' LEU . 18.1 mt -67.13 89.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -91.52 -56.41 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.822 ' HG3' HG21 ' B' ' 12' ' ' VAL . 33.0 ttm180 -97.37 125.78 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 42.7 p90 -151.87 120.0 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.18 -153.99 8.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.629 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 3.7 p90 -167.21 166.74 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -166.39 169.38 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -45.45 110.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' SER . 1.9 p-10 46.17 37.15 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.2 tm? -144.21 134.91 24.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.573 ' N ' HD13 ' A' ' 71' ' ' LEU . 55.3 t80 -144.59 121.86 11.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.0 t -133.58 155.44 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.432 ' HE2' ' HE1' ' A' ' 38' ' ' MET . 9.2 p90 -147.48 144.85 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -108.18 148.31 30.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.7 p -143.84 151.76 40.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.09 -157.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -104.88 -8.68 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -75.88 -23.74 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -60.59 146.54 44.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -40.22 -60.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -54.28 -47.76 72.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 104.42 171.18 24.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.77 134.92 3.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.36 144.83 4.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.4 mt -96.71 149.03 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -136.04 123.8 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.573 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.15 155.5 20.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.7 m-85 -145.32 151.8 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 30' ' ' GLY . 30.7 mttp -98.08 123.1 41.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.3 t -164.02 110.0 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 t -52.29 -19.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -97.29 32.46 2.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -64.06 -66.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.6 tt0 -33.72 -58.85 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.33 -52.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.779 HG23 HD11 ' A' ' 40' ' ' LEU . 8.1 mt -65.73 -35.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -71.74 -25.69 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -89.16 -27.06 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 tp -87.2 -26.55 23.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.442 HD21 HD11 ' A' ' 45' ' ' LEU . 12.5 mt -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -55.46 -18.65 7.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -38.31 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.8 mt -79.04 -40.71 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.84 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.4 t80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.881 0.372 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm85 -90.12 122.42 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 4' ' ' LEU . 13.3 mt -96.17 172.46 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -115.34 -29.16 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -137.25 164.07 29.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.7 t80 -91.15 118.44 68.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 74.3 m -52.75 117.16 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.22 -60.9 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -80.13 95.42 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.822 HG21 ' HG3' ' A' ' 64' ' ' ARG . 3.0 p -108.77 141.82 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.476 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 2.6 t30 -116.64 83.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.93 142.48 9.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.786 0.244 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -95.01 7.81 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -129.47 14.88 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.5 t-80 -53.37 139.45 47.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.81 -27.52 26.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -111.39 -13.52 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -122.24 147.97 45.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -150.76 107.58 3.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -65.38 122.72 17.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -116.01 163.09 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' VAL . 93.3 m -128.64 114.05 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -56.54 125.93 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG11 ' HG3' ' A' ' 90' ' ' LYS . 26.8 m -136.22 160.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' B' ' 2' ' ' PHE . 0.6 OUTLIER -102.27 -176.85 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -48.5 -45.19 36.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -61.71 -27.2 68.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 3.45 54.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 26' ' ' VAL . 34.3 m -62.82 169.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.6 107.27 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -85.43 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.4 149.43 21.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.9 p -84.36 152.18 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.29 161.96 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -120.5 122.14 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' ' 45' ' ' LEU . 52.4 tpp -92.25 132.07 36.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' ' 45' ' ' LEU . 11.9 tt0 -117.58 132.6 56.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 97' ' ' ILE . 7.8 mp -105.74 108.99 20.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' SER . 80.5 p -127.4 138.12 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' HG3' HD22 ' A' ' 104' ' ' LEU . 43.7 mt-30 -38.67 -26.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.1 m -73.83 -70.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.03 178.69 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 101' ' ' LEU . 11.6 mt -89.13 138.78 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.1 129.18 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.797 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.3 mt -101.19 140.94 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.06 106.59 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.821 0.343 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.406 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 3.5 t -96.89 151.79 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -132.57 139.54 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.797 ' CH2' HD12 ' A' ' 47' ' ' LEU . 22.9 m-90 -129.84 113.31 17.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.93 43.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.872 ' HA ' HD12 ' A' ' 62' ' ' LEU . 27.3 m-85 -64.14 -13.77 50.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mt -71.64 -66.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 62' ' ' LEU . 4.3 p -55.31 -42.12 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.872 HD12 ' HA ' ' A' ' 59' ' ' TYR . 12.1 mt -35.68 98.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -57.33 -43.28 83.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -165.03 170.53 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.516 ' CE1' ' SD ' ' A' ' 105' ' ' MET . 18.8 p90 -147.99 108.75 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.77 -164.33 21.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.433 ' N ' ' SG ' ' B' ' 9' ' ' CYS . 3.1 p90 -167.45 143.83 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 110.948 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' B' ' 9' ' ' CYS . 6.2 m-20 -141.03 168.43 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.3 t -46.91 129.08 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' SER . 30.2 t30 33.18 35.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.4 tm? -150.02 141.0 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.616 ' N ' HD13 ' A' ' 71' ' ' LEU . 60.8 t80 -145.74 129.76 17.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 t -147.48 165.87 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.95 149.2 27.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -151.67 151.71 31.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.2 -160.72 29.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -101.82 13.78 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -95.74 -13.49 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.56 168.3 18.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.7 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 p -43.03 -59.07 2.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.12 167.53 12.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -41.35 150.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.73 157.36 9.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 87' ' ' PHE . 17.0 mt -98.8 151.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.404 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 37.1 m-85 -128.39 115.88 18.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HB3' HD11 ' B' ' 4' ' ' LEU . . . -113.18 142.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -138.23 149.47 45.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.521 ' HG3' HG11 ' A' ' 26' ' ' VAL . 32.4 mttm -85.98 122.32 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.86 177.26 8.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -117.64 -22.29 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -109.45 48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 -68.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' PHE . 5.3 tt0 -42.71 -55.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.92 -50.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.489 HG23 HD11 ' A' ' 40' ' ' LEU . 11.9 mt -68.99 -32.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -74.85 -21.6 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -92.05 -35.42 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.497 HD23 ' HG ' ' A' ' 104' ' ' LEU . 2.0 tt -77.62 -36.99 51.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.638 HD21 HD11 ' A' ' 45' ' ' LEU . 10.6 mt -52.6 -50.95 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -65.51 -24.46 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.83 -29.36 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' HD23 ' A' ' 100' ' ' LEU . 66.6 mt -88.11 -45.37 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 65' ' ' TYR . 27.0 mtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 60.0 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.833 0.349 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 115.53 30.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 88' ' ' ALA . 12.7 mt -95.17 162.99 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -118.84 -13.25 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -131.96 168.74 17.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -116.31 110.0 43.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.11 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 20.4 m -40.05 153.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.21 -68.42 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.15 87.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.94 144.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.49 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 27.4 p-10 -135.81 143.99 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -88.67 173.57 8.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.537 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.756 0.231 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.49 -2.19 31.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' HB3' ' NH2' ' A' ' 93' ' ' ARG . 11.6 p30 -130.76 35.22 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.551 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.94 139.92 96.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.823 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.1 Cg_endo -69.78 -30.7 21.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.8 p -101.07 -25.16 14.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 2.0 mptp? -113.26 153.64 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.7 m-85 -149.96 107.39 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HG2' HG22 ' A' ' 37' ' ' VAL . 17.8 mttm -69.88 117.07 10.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.38 174.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 26' ' ' VAL . 97.3 m -141.25 105.45 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 121.07 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 24' ' ' THR . 34.2 m -122.28 178.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.747 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -110.49 -177.27 3.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -53.0 -39.13 62.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -39.56 81.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.35 5.23 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.747 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.1 m -67.2 165.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.132 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.38 114.08 27.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.64 -59.52 1.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.05 145.11 15.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.4 p -90.61 147.53 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.86 167.41 37.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' HG2' ' A' ' 22' ' ' LYS . 26.9 t -121.61 123.61 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.9 ttm -93.51 123.61 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.604 ' HG2' HG23 ' A' ' 41' ' ' THR . 81.9 tt0 -109.31 131.79 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 HG23 ' A' ' 97' ' ' ILE . 10.7 mp -100.55 89.77 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' ' 39' ' ' GLU . 22.5 p -108.36 135.99 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -38.5 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' THR . 67.7 m -68.51 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.445 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 10.1 pt-20 -174.46 179.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.582 HD11 HD21 ' A' ' 101' ' ' LEU . 12.4 mt -89.13 115.16 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.661 HG22 ' HG2' ' A' ' 56' ' ' ARG . 81.7 t -115.68 142.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.5 mt -105.0 155.86 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -132.01 114.16 14.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.929 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.35 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.606 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 41.4 t -108.15 141.18 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.661 ' HG2' HG22 ' A' ' 46' ' ' VAL . 24.0 mtp85 -121.51 161.2 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.606 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 5.7 m-90 -152.7 113.48 2.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 121.27 7.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 44' ' ' GLU . 47.7 m-85 -47.6 -26.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 tt -63.37 -45.95 88.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 5.2 p -70.84 -37.05 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD12 ' HD1' ' A' ' 59' ' ' TYR . 12.5 mt -45.14 92.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 74.5 ttt180 -53.71 -55.84 22.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.7 166.43 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 65' ' ' TYR . 1.3 p90 -149.0 133.76 17.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.04 -168.85 12.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -160.74 151.9 18.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.19 168.7 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 t -48.54 -54.75 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -132.98 35.98 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.8 OUTLIER -148.85 131.07 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.548 ' N ' HD13 ' A' ' 71' ' ' LEU . 14.6 t80 -140.21 116.29 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -134.19 168.86 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.48 145.27 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -98.09 154.05 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 81.3 p -153.6 152.66 31.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.76 -152.03 1.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -24.73 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -55.06 -18.85 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 p -72.97 150.05 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 82' ' ' THR . 12.2 tt0 -42.72 -66.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.454 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 53.4 p -47.45 -57.09 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.55 172.24 15.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -48.04 134.29 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 145.7 144.99 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -95.27 150.99 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -140.14 124.78 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -99.87 156.69 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -148.5 130.98 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -82.51 119.27 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 9.3 t -133.65 156.74 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 t -86.81 -31.35 20.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 2.7 ptp180 -118.01 52.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.38 -57.57 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 22.0 tt0 -42.65 -53.99 4.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -41.36 -54.07 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.505 HG23 HD11 ' A' ' 40' ' ' LEU . 10.3 mt -60.54 -33.96 56.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.492 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -74.52 -19.84 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.474 ' ND2' ' N ' ' A' ' 99' ' ' ASN . 1.1 m120 -85.69 -30.39 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.687 ' O ' HD23 ' A' ' 100' ' ' LEU . 2.5 tt -90.83 -34.44 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 45' ' ' LEU . 12.1 mt -53.76 -56.79 14.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -53.16 -33.05 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.58 -25.82 62.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.425 HD11 HD22 ' A' ' 100' ' ' LEU . 86.1 mt -87.73 -44.34 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 29.7 mmm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.856 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 38.4 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 134.45 40.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 88' ' ' ALA . 16.2 mt -103.48 163.08 12.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -93.56 -43.99 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -134.05 175.37 9.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.09 119.48 69.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -50.58 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -56.01 141.28 40.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.414 ' O ' HG13 ' B' ' 12' ' ' VAL . . . -100.73 -62.72 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -72.8 83.48 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.414 HG13 ' O ' ' B' ' 10' ' ' GLY . 1.5 m -96.15 162.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.443 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 48.7 t-20 -122.35 90.61 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -51.48 116.28 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.791 0.246 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.16 17.98 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -127.87 8.53 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t-80 -48.95 133.31 14.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.6 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -84.36 -38.99 19.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' HIS . 1.7 mppt? -97.85 155.72 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 98.1 m-85 -153.58 105.65 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -61.07 122.39 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.09 -179.24 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 26' ' ' VAL . 89.6 m -150.85 106.99 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -59.82 126.75 28.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.701 HG11 ' HD2' ' A' ' 90' ' ' LYS . 19.7 m -129.36 168.68 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.588 ' OD1' HG23 ' A' ' 31' ' ' VAL . 1.9 p-10 -97.51 -174.1 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -54.36 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.36 6.77 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.588 HG23 ' OD1' ' A' ' 27' ' ' ASP . 1.5 t -66.5 151.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.72 113.28 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 12.1 mt -88.45 -64.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.42 149.31 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.8 p -97.31 143.16 28.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.27 170.65 36.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.8 t -125.16 124.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.596 ' CG ' HD22 ' A' ' 45' ' ' LEU . 28.7 tpp -91.58 129.91 37.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.518 ' HG2' HG23 ' A' ' 41' ' ' THR . 54.2 tt0 -114.29 132.3 56.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 97' ' ' ILE . 9.8 mp -97.29 90.73 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 39' ' ' GLU . 21.8 p -110.77 135.99 50.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -38.26 -27.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' THR . 17.6 p -70.1 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -174.55 -178.72 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 ' CG ' ' A' ' 38' ' ' MET . 12.9 mt -89.87 108.77 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.94 146.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -109.17 150.7 27.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -121.96 130.13 53.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.816 0.341 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.796 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 37.5 t -126.31 154.36 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.8 mpt_? -139.99 161.72 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.796 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.2 m-90 -154.66 117.73 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.5 Cg_endo -69.76 124.05 10.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.1 m-85 -43.45 -22.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.1 tp -67.85 -58.17 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.2 p -50.5 -36.6 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 59' ' ' TYR . 77.7 mt -59.82 92.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -78.12 -42.13 32.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.908 ' HG3' HG21 ' B' ' 12' ' ' VAL . 52.0 ttp180 -129.54 137.64 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.49 ' C ' HG23 ' B' ' 12' ' ' VAL . 16.9 p90 -145.3 112.52 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.97 -163.41 13.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -166.47 159.46 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -145.87 177.47 8.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -46.61 -63.35 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -129.9 42.18 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.2 tm? -150.35 128.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.541 ' N ' HD13 ' A' ' 71' ' ' LEU . 13.7 t80 -131.47 110.34 10.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.3 t -126.22 157.33 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.0 145.18 25.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 76' ' ' SER . 14.2 tt0 -101.9 153.73 19.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.416 ' O ' ' OE1' ' A' ' 84' ' ' GLN . 2.7 p -150.88 127.07 10.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.76 179.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 9.1 ptt180 -81.44 36.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -108.93 -34.04 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 10.0 p -59.68 145.96 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -40.43 -56.57 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -55.78 -40.41 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.47 175.77 19.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.478 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 4.6 tp60 -65.53 118.26 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 175.17 152.21 9.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.44 HG22 HD12 ' B' ' 4' ' ' LEU . 92.7 mt -93.69 126.88 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.106 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.65 114.75 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.421 ' CB ' HD11 ' B' ' 4' ' ' LEU . . . -101.11 132.08 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -126.97 139.66 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.701 ' HD2' HG11 ' A' ' 26' ' ' VAL . 38.0 mttp -85.21 131.8 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.9 p -147.37 -176.62 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -120.3 -22.16 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' ALA . 21.3 mtm180 -111.56 27.23 9.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' ARG . . . -35.0 -43.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' PHE . 11.7 tt0 -60.97 -55.66 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -39.48 -57.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 40' ' ' LEU . 10.5 mt -61.34 -32.93 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -70.76 -33.45 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -79.19 -29.78 43.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 104' ' ' LEU . 1.8 tt -82.61 -40.72 20.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.499 HD21 HD11 ' A' ' 45' ' ' LEU . 14.4 mt -53.58 -54.87 31.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.48 -26.7 61.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.59 -39.41 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 100' ' ' LEU . 61.8 mt -75.78 -33.99 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.82 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 26.1 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.894 0.378 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -96.24 124.01 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.44 HD12 HG22 ' A' ' 86' ' ' ILE . 29.5 mt -95.16 164.65 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -99.22 -39.56 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -129.47 164.79 22.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.431 ' CD1' ' HD2' ' B' ' 8' ' ' PRO . 2.7 t80 -86.36 121.92 72.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 53.5 Cg_endo -69.79 -50.66 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.83 151.0 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.32 -73.81 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.46 99.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.908 HG21 ' HG3' ' A' ' 64' ' ' ARG . 7.1 p -119.62 146.17 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 18.8 p-10 -114.32 78.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -38.3 129.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.791 0.246 . . . . 0.0 112.322 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 13.5 m-20 -71.1 -1.13 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -134.46 40.42 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.6 t-80 -70.82 141.15 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 p -94.92 -27.9 15.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -115.45 147.18 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -147.49 108.71 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -68.81 127.0 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -125.13 174.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 26' ' ' VAL . 72.3 m -137.55 107.53 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' ND2' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.06 119.22 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 24' ' ' THR . 34.9 m -123.05 179.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.705 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.7 p-10 -113.27 -175.18 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.9 -42.82 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.81 -40.51 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.1 12.2 7.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.705 HG22 ' OD1' ' A' ' 27' ' ' ASP . 20.9 m -73.73 167.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -100.55 113.47 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.411 HD12 ' ND2' ' A' ' 25' ' ' ASN . 11.8 mt -96.18 -63.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.57 149.43 19.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.9 p -96.83 142.42 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.599 ' HA3' HD23 ' A' ' 49' ' ' LEU . . . -159.37 169.96 35.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -120.34 121.02 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.587 ' SD ' HD22 ' A' ' 45' ' ' LEU . 34.7 tpp -85.33 130.04 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.812 ' HG2' HG23 ' A' ' 41' ' ' THR . 29.6 tt0 -114.57 131.09 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.586 HD11 HG23 ' A' ' 97' ' ' ILE . 8.3 mp -102.68 76.12 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.812 HG23 ' HG2' ' A' ' 39' ' ' GLU . 36.8 p -94.43 130.99 40.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' THR . 36.7 mt-30 -35.84 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 t -65.19 -61.43 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -172.53 -179.5 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.741 HD12 HD11 ' A' ' 62' ' ' LEU . 9.2 mt -92.48 123.86 36.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t -123.84 142.48 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.536 HD12 ' CH2' ' A' ' 57' ' ' TRP . 11.7 mt -108.27 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.31 103.27 15.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.599 HD23 ' HA3' ' A' ' 36' ' ' GLY . 7.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.672 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 62.9 t -115.67 162.83 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.591 ' N ' HG12 ' A' ' 55' ' ' VAL . 9.1 mtt85 -141.46 135.63 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.672 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 18.3 m-90 -129.89 112.69 17.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.77 121.52 8.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.415 ' HA ' HD12 ' A' ' 62' ' ' LEU . 29.7 m-85 -38.39 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -63.04 -60.06 3.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.4 p -58.9 -36.09 74.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 45' ' ' LEU . 11.3 mt -48.13 97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.11 -54.93 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -153.04 172.03 17.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 3.6 p90 -149.15 131.6 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.41 -169.34 14.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -166.26 146.46 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -144.67 171.75 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.0 p -46.64 -55.91 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -133.55 42.62 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -151.83 130.48 12.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.566 ' N ' HD13 ' A' ' 71' ' ' LEU . 31.9 t80 -140.6 108.98 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -129.49 167.79 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 74' ' ' PHE . 9.4 p90 -151.67 142.73 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.28 148.5 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.3 m -146.01 153.24 40.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.38 -148.47 1.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.458 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -105.85 -37.13 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 10.7 ptm180 -45.1 -25.35 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 p -66.27 160.29 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -52.75 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p -51.11 -33.03 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.05 179.1 44.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.458 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 11.0 pt20 -44.26 141.69 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.55 149.86 5.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.0 mt -105.01 136.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -121.61 123.91 43.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -100.74 165.03 11.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -155.78 120.78 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HG3' HG11 ' A' ' 26' ' ' VAL . 67.8 mttt -67.83 118.66 11.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.9 166.67 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.4 m -108.77 -32.86 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.462 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -98.1 38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.18 -54.5 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -49.06 -55.31 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -41.87 -54.9 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.586 HG23 HD11 ' A' ' 40' ' ' LEU . 14.5 mt -62.36 -31.46 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -34.94 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -72.59 -28.04 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.91 -43.78 12.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.607 HD21 HD11 ' A' ' 45' ' ' LEU . 10.1 mt -45.51 -52.99 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -59.92 -37.89 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.77 -25.3 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.9 mt -92.58 -30.49 15.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 9.4 mmm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.815 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 34.1 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.888 0.375 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.02 134.51 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 88' ' ' ALA . 22.5 mt -105.21 166.59 10.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -97.15 -42.9 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -132.87 -179.9 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.22 120.86 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -49.56 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 65.2 m -60.85 145.68 49.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.19 -63.38 0.84 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -74.66 89.61 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -98.27 151.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 62.9 t-20 -108.21 92.26 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -55.4 133.54 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.803 0.251 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.64 4.59 9.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.37 18.18 9.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.414 ' CE1' ' HG1' ' A' ' 19' ' ' THR . 4.3 t-80 -58.94 134.1 87.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.553 0.692 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.22 36.53 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.414 ' HG1' ' CE1' ' A' ' 17' ' ' HIS . 21.9 p -113.34 -17.8 12.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -120.91 130.99 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -132.88 108.27 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.25 106.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.72 177.84 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' HG13 ' A' ' 26' ' ' VAL . 51.9 m -147.07 108.44 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -54.87 130.57 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 24' ' ' THR . 28.5 m -130.72 174.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.782 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.8 p-10 -109.82 -175.55 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.21 -51.87 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.78 -35.36 74.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.88 0.14 24.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.782 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.6 m -57.9 164.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 111.171 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -97.73 105.14 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 27' ' ' ASP . 25.7 mt -86.42 -56.65 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.28 143.38 10.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 154.83 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.72 171.1 36.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.448 ' O ' HD22 ' A' ' 47' ' ' LEU . 33.2 t -119.51 126.38 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 40.2 ttm -109.89 125.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -114.54 136.29 53.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.909 HD11 HG23 ' A' ' 97' ' ' ILE . 7.1 mp -101.6 97.66 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 42' ' ' GLN . 41.2 p -118.37 131.71 56.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 41' ' ' THR . 94.6 mt-30 -32.45 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 8.7 t -61.34 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.95 -177.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD11 HD21 ' A' ' 101' ' ' LEU . 10.1 mt -88.97 121.89 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.62 121.98 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 37' ' ' VAL . 0.8 OUTLIER -111.77 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -109.56 138.77 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.828 0.347 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.8 t -98.69 124.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.7 151.95 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.401 ' CZ3' ' HZ ' ' A' ' 74' ' ' PHE . 2.3 m-90 -138.76 124.09 12.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.582 0.706 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.409 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 54.4 Cg_endo -69.77 140.88 43.71 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.895 ' HA ' HD12 ' A' ' 62' ' ' LEU . 11.4 m-85 -74.19 -30.4 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -73.58 -77.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.455 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 1.3 m -34.76 -37.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 59' ' ' TYR . 6.0 mt -33.73 132.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -90.56 -63.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.989 ' HG3' HG21 ' B' ' 12' ' ' VAL . 14.0 ttp-105 -136.23 149.95 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.619 ' C ' HG23 ' B' ' 12' ' ' VAL . 54.6 p90 -151.91 108.31 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.05 -168.1 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.403 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.3 p90 -156.2 162.62 40.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.8 m-20 -154.3 169.23 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' ASP . 15.3 t -35.04 -71.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -123.36 29.0 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.723 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.4 tm? -137.85 132.16 32.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.723 ' N ' HD13 ' A' ' 71' ' ' LEU . 54.7 t80 -142.56 107.07 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.2 t -116.29 166.22 12.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.9 p90 -160.02 140.6 11.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -101.6 156.48 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.4 p -140.67 149.13 41.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' GLY . . . -62.76 -151.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -111.99 -32.3 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -64.89 -14.34 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -66.43 -175.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.07 -61.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 p -72.2 -34.32 68.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . 94.36 -162.01 24.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.9 155.12 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.03 140.67 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 98.3 mt -99.01 136.62 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -123.82 122.6 38.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.75 129.79 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -120.45 138.92 53.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -97.57 116.18 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.1 148.39 48.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 t -80.54 -28.56 37.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -112.53 47.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -56.86 -57.21 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 98' ' ' PHE . 19.0 tt0 -37.81 -60.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -39.78 -53.71 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.909 HG23 HD11 ' A' ' 40' ' ' LEU . 12.3 mt -62.48 -31.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -78.67 -25.13 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -89.14 -18.29 27.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.3 tp -95.34 -30.56 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 45' ' ' LEU . 10.5 mt -54.01 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -53.66 -29.75 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.9 -36.03 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.22 -36.93 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.412 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 65.1 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 15.8 t80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.888 0.375 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -83.81 126.9 33.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 mt -93.8 172.85 7.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.64 -39.75 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -140.17 154.99 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.38 125.28 91.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.2 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 t -66.5 153.89 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.1 -42.16 1.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -92.35 100.28 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.989 HG21 ' HG3' ' A' ' 64' ' ' ARG . 6.6 p -116.24 138.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' B' ' 14' ' ' TYR . 8.4 t30 -104.64 70.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' B' ' 13' ' ' ASN . 54.0 m-85 -35.45 138.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.23 0.124 0 CA-C-O 120.817 0.257 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.65 10.24 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.05 20.25 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.506 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -62.83 140.69 97.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.589 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.74 -43.04 2.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.6 p -87.2 -23.93 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -115.8 135.38 54.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 85.7 m-85 -136.22 109.62 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -67.88 119.53 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -119.8 164.82 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 26' ' ' VAL . 21.4 m -131.65 109.9 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.16 108.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 31' ' ' VAL . 27.6 m -115.1 -178.91 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.701 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.4 p-10 -113.3 -174.91 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.87 -39.41 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.51 -39.59 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.81 15.64 7.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.701 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.1 m -75.92 164.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -96.43 110.13 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.77 -58.16 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.37 138.98 7.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.9 p -84.74 138.85 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.64 165.65 30.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.08 122.13 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.4 tpp -89.08 133.69 34.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.648 ' HG2' HG23 ' A' ' 41' ' ' THR . 19.0 tt0 -124.27 131.09 53.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.45 88.53 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 39' ' ' GLU . 13.9 p -107.07 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' THR . 38.8 mt-30 -32.98 -40.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -58.65 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -174.96 -179.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 62' ' ' LEU . 13.0 mt -87.62 120.25 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.01 138.96 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.631 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 13.5 mt -110.77 128.53 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -106.06 125.18 50.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.789 0.328 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.71 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 48.7 t -116.48 160.38 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.538 ' N ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -135.52 157.83 45.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.71 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 29.6 m-90 -148.95 111.83 3.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 127.97 15.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.1 m-85 -43.13 -31.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.82 -59.52 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.67 -40.59 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 59' ' ' TYR . 14.6 mt -44.27 105.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -70.88 -52.58 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.64 ' O ' HG23 ' B' ' 12' ' ' VAL . 7.3 p90 -136.89 120.52 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.45 161.31 15.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HB3' ' CB ' ' A' ' 98' ' ' PHE . 5.3 p90 -124.98 168.63 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.57 -176.07 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LEU . 48.2 t -70.8 123.47 22.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 39.19 25.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -136.68 127.81 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -136.83 116.6 13.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.5 t -140.68 158.19 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -145.39 146.75 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -107.36 135.69 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 m -138.03 137.99 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.68 160.74 51.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -47.91 -26.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -21.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.7 p -74.06 165.72 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.31 -69.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.8 p -46.3 -40.78 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 111.05 176.84 20.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.468 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 8.5 tt0 -51.83 137.95 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.31 143.2 4.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 70.3 mt -94.64 141.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -126.07 124.61 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -105.85 158.59 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 11.4 m-85 -153.36 136.92 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -84.23 119.24 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.74 172.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.5 t -97.11 -40.44 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -109.41 58.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.25 -57.25 13.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' PHE . 15.4 tt0 -49.08 -55.69 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.38 -47.7 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.0 mt -63.34 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.1 -19.75 59.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -90.3 -22.98 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.572 ' O ' HD23 ' A' ' 100' ' ' LEU . 3.3 tt -91.4 -36.57 13.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.28 -54.07 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.1 -33.78 65.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -24.86 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.5 mt -94.16 -26.22 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 12.6 mmm . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.856 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 41.6 t80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.566 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -89.78 147.22 23.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 88' ' ' ALA . 12.5 mt -117.83 153.07 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -84.63 -49.6 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -125.52 160.45 29.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 5.7 t80 -85.04 118.38 70.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 54.2 Cg_endo -69.73 -45.82 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.513 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 33.3 m -65.53 95.76 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -61.51 5.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.35 101.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 65' ' ' TYR . 7.2 p -121.18 141.29 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' B' ' 13' ' ' ASN . 5.5 t30 -101.59 82.88 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -44.92 127.71 6.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.827 0.261 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 9.1 p30 -74.74 0.24 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -130.58 32.11 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.543 ' CD2' ' HD2' ' A' ' 14' ' ' PRO . 1.5 t-80 -64.6 139.01 97.63 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.05 27.94 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 p -104.12 -29.35 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -114.89 152.11 32.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 27.9 m-85 -145.61 106.11 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -65.01 113.42 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -114.44 167.63 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 26' ' ' VAL . 55.4 m -134.78 99.1 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' ND2' HD12 ' A' ' 33' ' ' LEU . 2.9 t30 -52.3 126.6 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.668 HG11 ' HD2' ' A' ' 90' ' ' LYS . 33.5 m -127.11 -178.24 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.651 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.3 p-10 -112.44 -174.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.17 -48.16 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.78 -40.03 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.73 17.25 6.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.651 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.5 m -76.83 161.82 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -97.34 113.79 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD12 ' ND2' ' A' ' 25' ' ' ASN . 21.7 mt -95.91 -61.43 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.11 142.86 13.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -90.93 138.63 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.96 166.93 29.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -119.88 121.27 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.41 ' CG ' HD22 ' A' ' 45' ' ' LEU . 40.3 ttm -95.58 125.7 40.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.757 ' HG2' HG23 ' A' ' 41' ' ' THR . 67.0 tt0 -109.52 130.95 55.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 97' ' ' ILE . 8.2 mp -99.35 81.1 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.757 HG23 ' HG2' ' A' ' 39' ' ' GLU . 76.9 p -99.4 136.5 39.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 32.0 mt-30 -35.32 -39.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -58.36 -65.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -174.48 -177.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.538 HD11 HD21 ' A' ' 101' ' ' LEU . 16.0 mt -87.5 129.71 34.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.722 HG22 ' HG2' ' A' ' 56' ' ' ARG . 85.3 t -133.49 136.46 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.2 mt -100.84 163.96 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -132.0 110.8 11.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.856 0.36 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.575 HG13 HG23 ' A' ' 82' ' ' THR . 43.7 t -92.38 130.55 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.722 ' HG2' HG22 ' A' ' 46' ' ' VAL . 44.8 mtp180 -125.2 166.53 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.595 ' CZ2' HG21 ' A' ' 82' ' ' THR . 10.2 m-90 -152.78 112.8 2.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.73 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.6 m-85 -40.51 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 tt -64.97 -68.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ARG . 99.9 m -48.94 -42.12 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 59' ' ' TYR . 10.7 mt -33.77 95.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.6 tpp180 -57.87 -57.58 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.869 ' HB2' HG21 ' B' ' 12' ' ' VAL . 8.4 ptp180 -146.18 145.93 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.568 ' O ' HG23 ' B' ' 12' ' ' VAL . 3.4 p90 -125.48 116.19 21.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.57 -178.83 20.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.27 163.32 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.921 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -159.74 160.68 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.0 m -41.5 -59.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -131.44 36.5 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -152.79 125.23 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.576 ' N ' HD13 ' A' ' 71' ' ' LEU . 68.5 t80 -134.76 115.03 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -127.02 165.94 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -149.96 155.73 40.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 8.1 mp0 -97.13 155.08 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.6 p -146.33 133.49 20.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.11 -139.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -123.07 -33.79 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -64.93 -13.66 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.2 p -68.75 -176.41 0.82 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.73 ' OE1' HG23 ' A' ' 82' ' ' THR . 2.8 tm0? -77.38 -55.25 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.73 HG23 ' OE1' ' A' ' 81' ' ' GLN . 4.0 p -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.8 173.19 37.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -44.36 144.5 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.28 131.76 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.696 HG22 HD12 ' B' ' 4' ' ' LEU . 49.0 mt -90.77 126.72 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -111.69 126.51 55.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -105.64 158.12 16.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -144.97 150.72 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.668 ' HD2' HG11 ' A' ' 26' ' ' VAL . 48.9 mttt -104.86 138.37 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 94' ' ' ALA . 22.5 p -163.08 -175.02 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.9 m -122.08 -23.34 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -107.36 32.65 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.43 ' HB2' ' SG ' ' A' ' 91' ' ' CYS . . . -48.88 -59.21 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -45.34 -46.75 13.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 40' ' ' LEU . 18.9 mt -69.58 -34.81 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -29.11 63.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -77.52 -31.94 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 45.4 tp -86.85 -35.13 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 45' ' ' LEU . 11.6 mt -47.56 -62.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -58.16 -29.53 65.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.26 -26.22 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.4 mt -91.73 -39.2 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 21.6 mtp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 13.3 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.88 0.371 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . 0.568 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -67.87 149.28 50.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.696 HD12 HG22 ' A' ' 86' ' ' ILE . 15.9 mt -117.81 165.67 13.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -99.7 -44.84 5.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -136.61 155.43 49.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' B' ' 9' ' ' CYS . 0.8 OUTLIER -68.97 113.49 16.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.881 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 3.03 3.03 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' CYS . . . . . 0.513 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 19.5 t -100.64 -74.68 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.9 -42.5 1.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -95.87 90.64 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.869 HG21 ' HB2' ' A' ' 64' ' ' ARG . 5.4 p -114.35 138.45 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' B' ' 14' ' ' TYR . 10.4 p-10 -97.72 81.38 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 10.0 m-85 -34.72 134.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -167.57 164.32 14.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -162.92 175.13 11.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.03 103.12 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -119.31 136.2 54.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -135.71 152.75 51.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.44 43.01 2.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.6 mt -106.83 127.14 53.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -70.09 150.69 46.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.43 139.04 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -95.25 -54.4 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 p -144.72 123.71 12.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.57 HG13 ' HE2' ' A' ' 22' ' ' LYS . 7.2 p -57.57 123.01 60.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 166.13 28.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.74 2.293 . . . . 0.0 112.307 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.7 3.24 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -132.0 30.94 4.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -65.35 141.08 97.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.899 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.74 -35.06 13.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.338 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.9 p -99.34 -23.0 15.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -115.55 155.7 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 58.4 m-85 -155.19 105.55 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HE2' HG13 ' A' ' 13' ' ' VAL . 22.3 mttm -61.08 113.55 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.4 m -110.4 164.15 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 26' ' ' VAL . 40.4 m -132.02 100.07 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -53.21 118.66 3.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 24' ' ' THR . 33.7 m -115.93 175.8 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.746 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.8 p-10 -108.19 178.51 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -44.54 -42.64 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.81 -3.44 27.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.431 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.746 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.8 m -58.53 165.82 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -96.89 114.59 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 13.7 mt -94.46 -53.99 3.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.99 153.46 25.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 p -94.29 147.36 23.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.86 166.2 34.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.47 123.21 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.483 ' CE ' HD21 ' A' ' 47' ' ' LEU . 44.2 tpp -94.03 139.32 31.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.752 ' O ' HD23 ' A' ' 45' ' ' LEU . 12.3 tt0 -120.08 132.74 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.7 HD11 HG23 ' A' ' 97' ' ' ILE . 8.9 mp -109.48 84.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 43' ' ' SER . 0.1 OUTLIER -114.01 140.04 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.124 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 11.8 mp0 -35.14 -35.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' THR . 12.0 t -58.97 -71.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -174.53 179.21 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.756 HD11 HD21 ' A' ' 101' ' ' LEU . 11.4 mt -88.66 124.49 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.8 t -126.35 131.77 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.879 HD12 ' CH2' ' A' ' 57' ' ' TRP . 17.5 mt -100.93 141.34 33.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.494 ' C ' HD23 ' A' ' 49' ' ' LEU . 87.3 m-70 -115.6 140.68 48.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.494 HD23 ' C ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -151.74 -175.95 5.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 52' ' ' ARG . 10.0 t60 -48.18 176.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' HIS . 13.5 mmm180 -34.37 -33.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' HIS . 25.4 mmt180 -39.65 158.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -64.8 146.0 55.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -88.31 -179.24 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.438 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 14.2 t -141.61 157.35 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' N ' HG12 ' A' ' 55' ' ' VAL . 10.5 mtt180 -137.47 151.08 48.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.879 ' CH2' HD12 ' A' ' 47' ' ' LEU . 27.5 m-90 -139.95 114.79 7.83 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.69 21.69 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.619 ' HA ' HD12 ' A' ' 62' ' ' LEU . 21.1 m-85 -52.88 -21.84 4.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD13 ' CD2' ' B' ' 16' ' ' TYR . 4.3 mm? -63.62 -75.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 3.0 m -36.17 -51.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 59' ' ' TYR . 54.3 mt -34.74 96.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.534 ' NH1' ' N ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.76 -45.13 21.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -134.96 138.35 43.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.695 ' C ' HG23 ' B' ' 12' ' ' VAL . 23.4 p90 -140.2 108.34 5.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.98 -162.81 12.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -160.59 169.29 23.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.935 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 69' ' ' SER . 5.0 m-20 -174.14 165.6 4.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 70' ' ' ASN . 5.2 m -38.11 119.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 69' ' ' SER . 6.8 p-10 32.84 42.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.3 tm? -146.54 126.53 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.693 ' HZ ' HD11 ' A' ' 101' ' ' LEU . 48.3 t80 -143.83 130.79 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.2 t -148.86 168.46 22.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -151.46 146.16 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.07 131.77 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.0 m -128.01 153.22 47.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.534 ' N ' ' NH1' ' A' ' 63' ' ' ARG . . . -71.47 -148.1 0.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.04 -2.32 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -84.26 -12.85 54.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 81' ' ' GLN . 10.5 p -76.94 151.53 35.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 80' ' ' CYS . 9.8 tt0 -37.54 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.415 HG23 HG11 ' A' ' 55' ' ' VAL . 27.3 p -47.42 -59.83 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.72 -173.57 16.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.7 129.97 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.967 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 87' ' ' PHE . . . 144.65 148.76 4.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.519 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.5 mt -93.64 152.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CD2' HD12 ' B' ' 1' ' ' LEU . 1.0 OUTLIER -137.0 118.86 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.622 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.75 155.84 21.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.622 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -146.58 149.55 33.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -98.66 126.12 44.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -137.48 179.43 6.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.1 t -104.85 -24.6 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -122.98 49.57 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.98 78.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -53.53 -48.51 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -49.05 -48.17 44.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.7 HG23 HD11 ' A' ' 40' ' ' LEU . 11.5 mt -66.98 -31.94 55.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -37.75 67.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -75.0 -20.43 59.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.519 HD23 HD22 ' A' ' 40' ' ' LEU . 34.4 tp -92.79 -35.42 13.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.756 HD21 HD11 ' A' ' 45' ' ' LEU . 12.4 mt -52.75 -53.65 45.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.6 -12.52 33.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.7 -36.9 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 40' ' ' LEU . 19.3 mt -85.69 -30.17 23.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 27.0 mtp -67.92 -47.86 67.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -39.67 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.2 t -59.17 -22.48 61.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 109' ' ' SER . 5.6 m120 37.45 50.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 108' ' ' ASN . 67.0 m -36.52 112.38 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.6 mp -92.93 101.18 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 113' ' ' MET . 26.3 m-20 39.43 31.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 111' ' ' ASN . 1.4 p -35.78 -30.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -122.33 149.83 43.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.22 96.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -80.99 152.73 71.92 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.605 0.717 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -174.78 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.86 132.13 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 120' ' ' THR . 26.7 mm -127.85 145.34 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 120' ' ' THR . 12.1 pt -39.93 -37.12 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.676 ' H ' HG22 ' A' ' 118' ' ' ILE . 1.3 t -35.96 -35.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 26.9 ptt85 -43.07 151.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -60.09 121.01 10.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 124' ' ' HIS . 55.7 p -161.87 175.2 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 123' ' ' SER . 20.0 p-80 -38.46 143.54 0.43 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 147.39 62.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -153.88 176.63 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.88 82.28 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tt -104.12 138.34 40.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -43.29 159.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.0 pp -116.18 148.7 42.1 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -170.47 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.67 2.247 . . . . 0.0 112.286 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -76.39 176.19 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -148.84 143.66 17.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 111.118 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 166.62 27.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.44 ' CD ' ' HD2' ' A' ' 136' ' ' PRO . 35.4 tp60 -93.89 136.89 23.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.44 ' HD2' ' CD ' ' A' ' 135' ' ' GLN . 54.2 Cg_endo -69.74 132.01 22.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -174.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.329 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -105.76 174.0 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.19 160.63 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.1 tp -116.4 125.49 52.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.27 -155.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.456 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -153.39 156.57 38.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.968 0.413 . . . . 0.0 110.906 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 9.4 t -82.02 157.76 24.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 8.1 p -102.61 138.7 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -79.3 178.98 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.829 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.573 HD12 ' CD2' ' A' ' 87' ' ' PHE . 3.7 mm? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.466 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 44.1 t80 -55.99 139.6 45.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -91.37 122.65 34.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.8 mt -95.96 158.37 15.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -84.35 -39.7 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -148.94 170.11 19.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.3 t80 -74.32 117.94 65.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -6.53 18.84 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.706 2.27 . . . . 0.0 112.301 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.545 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.2 t -102.06 160.32 14.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.75 -31.89 0.99 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -98.81 96.07 7.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.695 HG23 ' C ' ' A' ' 65' ' ' TYR . 6.7 p -123.4 141.92 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.488 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 8.9 p-10 -105.01 77.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' B' ' 13' ' ' ASN . 18.2 m-85 -36.23 133.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.62 -69.59 0.52 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.482 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.668 ' CD2' HD13 ' A' ' 60' ' ' LEU . 24.4 m-85 -84.06 121.82 27.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.944 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -98.55 5.39 47.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -94.47 147.17 23.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 p -144.82 177.76 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 p -142.57 165.75 26.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.56 -178.53 22.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -150.68 158.87 44.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -146.36 170.27 17.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.06 156.23 27.63 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.6 pp -116.57 151.6 35.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -129.21 143.21 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -75.06 173.43 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.49 -42.97 58.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.2 t -60.62 143.44 53.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 t -99.97 120.47 56.89 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 161.27 46.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.356 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.81 -0.55 43.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 p30 -124.31 29.05 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.97 140.67 97.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.558 0.694 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.3 Cg_endo -69.77 -34.82 13.8 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.1 p -98.3 -20.17 17.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 141.88 48.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -140.84 105.46 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -68.43 114.72 7.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.632 HG12 ' HB3' ' A' ' 91' ' ' CYS . 30.9 m -112.96 165.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 26' ' ' VAL . 98.0 m -133.06 99.16 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -49.72 137.2 16.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HG3' ' A' ' 90' ' ' LYS . 34.7 m -132.12 -179.67 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.934 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -109.94 -177.5 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -53.51 -38.08 63.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.76 -41.97 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 120.68 16.3 4.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.934 HG22 ' OD1' ' A' ' 27' ' ' ASP . 35.7 m -79.01 169.85 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 0.0 111.142 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -103.36 115.1 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.2 mt -100.32 -66.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.6 135.41 7.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -86.79 153.1 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.824 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.78 170.18 36.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 68.0 t -121.69 122.3 66.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.565 ' SD ' HD22 ' A' ' 45' ' ' LEU . 33.7 tpp -94.32 129.73 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 41' ' ' THR . 26.8 tt0 -113.14 130.95 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.722 HD11 HG23 ' A' ' 97' ' ' ILE . 8.5 mp -98.75 87.79 3.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.641 HG23 ' HG2' ' A' ' 39' ' ' GLU . 37.8 p -108.29 133.66 52.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' THR . 86.3 mt-30 -34.53 -34.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 41' ' ' THR . 19.5 m -62.0 -65.1 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -174.49 -179.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD22 ' SD ' ' A' ' 38' ' ' MET . 11.7 mt -87.9 116.43 26.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.598 HG22 ' CG ' ' A' ' 56' ' ' ARG . 87.4 t -116.79 138.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD12 ' CH2' ' A' ' 57' ' ' TRP . 17.0 mt -101.47 157.87 16.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -127.01 124.48 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 53' ' ' GLU . 42.3 mt -123.25 -175.49 3.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -97.93 -75.03 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -91.45 -39.31 12.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.699 ' HB2' HD13 ' A' ' 49' ' ' LEU . 4.8 mpt_? -65.57 156.59 32.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.728 ' O ' HD12 ' A' ' 49' ' ' LEU . 11.1 mt-10 -71.8 166.69 21.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.28 147.31 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 56' ' ' ARG . 23.4 t -118.75 159.65 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.598 ' CG ' HG22 ' A' ' 46' ' ' VAL . 2.1 mpp_? -141.39 153.18 44.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.421 ' CH2' HD12 ' A' ' 47' ' ' LEU . 14.3 m-90 -141.04 113.49 6.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.545 0.688 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 122.94 9.6 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.779 ' HA ' HD12 ' A' ' 62' ' ' LEU . 26.5 m-85 -45.0 -27.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.81 -64.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.423 ' SG ' ' CG ' ' A' ' 79' ' ' ARG . 60.6 m -49.6 -43.26 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 59' ' ' TYR . 31.2 mt -41.58 97.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' CYS . 13.5 ptm180 -71.27 -38.28 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.31 156.78 42.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 7.5 p90 -151.59 124.25 8.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.97 -164.02 12.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -167.64 158.54 11.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.902 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -147.17 168.24 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.0 -52.31 20.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -134.48 34.65 3.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.7 OUTLIER -150.17 127.73 11.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.634 ' N ' HD13 ' A' ' 71' ' ' LEU . 25.7 t80 -137.7 119.6 15.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.7 t -137.35 166.25 24.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -147.69 142.43 26.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -97.24 155.74 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 m -153.27 153.77 33.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -78.93 -133.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 80' ' ' CYS . 32.2 mtp180 -110.64 -48.94 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' CG ' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -36.11 -31.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' ARG . 11.1 p -63.48 149.02 47.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 82' ' ' THR . 18.4 tt0 -43.65 -69.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 65.7 p -52.72 -37.34 59.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 85.71 -179.03 50.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.537 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' GLY . 3.8 pt20 -35.98 147.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.34 143.49 6.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.556 HG22 HD12 ' B' ' 4' ' ' LEU . 22.3 mt -101.71 144.64 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.401 ' CG ' HD12 ' B' ' 1' ' ' LEU . 26.8 m-85 -130.06 119.73 23.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.93 165.97 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -156.03 136.37 13.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.56 ' HG3' HG11 ' A' ' 26' ' ' VAL . 28.2 mttm -88.31 116.73 26.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.632 ' HB3' HG12 ' A' ' 23' ' ' VAL . 5.0 p -132.49 -179.22 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.2 t -114.89 -19.56 10.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -119.61 43.56 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.52 -60.76 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 98' ' ' PHE . 9.3 tt0 -43.92 -57.24 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -38.36 -56.6 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.722 HG23 HD11 ' A' ' 40' ' ' LEU . 10.5 mt -61.35 -33.07 55.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -71.76 -32.73 68.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 -83.23 -19.56 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.7 tt -93.77 -33.29 13.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 45' ' ' LEU . 11.0 mt -58.13 -63.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -50.86 -22.57 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.61 -30.24 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.78 -37.67 15.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 71.6 mtp -58.71 -45.54 89.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 107' ' ' CYS . 9.6 pt20 -59.29 -42.17 90.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 2.6 t -72.18 -38.11 69.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -46.52 135.34 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.0 m -38.68 132.53 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 45.5 mm -113.79 -70.13 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -119.7 37.15 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 54.3 t -101.14 -42.62 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 17.2 mmt -113.67 159.45 19.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -97.49 123.64 41.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -79.78 135.15 56.15 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.61 2.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 14.4 p -120.15 140.86 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.15 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 118' ' ' ILE . 5.1 mp -133.13 130.93 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.9 mm -112.18 123.32 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.8 t -115.03 150.2 36.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -53.1 125.0 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -98.57 165.85 11.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -150.43 156.55 41.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -74.07 139.27 76.04 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -178.11 2.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.262 . . . . 0.0 112.324 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.83 149.76 21.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -105.93 146.55 29.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 129' ' ' ASP . 9.3 tt -101.43 150.69 22.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' N ' HD23 ' A' ' 128' ' ' LEU . 2.8 m-20 -129.97 166.55 19.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.4 pp -116.79 157.1 47.05 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -175.95 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.39 174.96 5.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -137.47 150.26 67.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.582 0.706 . . . . 0.0 111.086 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 176.72 6.37 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -118.74 144.75 36.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 153.78 68.51 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.352 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 178.03 4.98 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -117.86 179.48 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -138.74 172.76 12.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tt -137.95 133.56 33.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -90.54 -145.54 14.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -122.85 176.5 5.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 26.9 p -96.36 -15.13 22.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 144' ' ' VAL . 7.6 t 65.36 46.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 74.0 m -57.56 137.54 56.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' B' ' 1' ' ' LEU . 4.0 mm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.844 0.355 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.1 t80 -59.61 139.03 57.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.74 110.12 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.556 HD12 HG22 ' A' ' 86' ' ' ILE . 13.6 mt -82.5 169.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.585 ' HB3' ' CD2' ' B' ' 6' ' ' HIS . 44.2 mtm-85 -101.91 -41.67 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.585 ' CD2' ' HB3' ' B' ' 5' ' ' ARG . 6.9 m-70 -135.68 -179.16 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -93.46 120.36 66.51 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -47.23 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 63.2 m -56.86 140.28 48.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.72 -47.0 1.43 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.452 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.46 87.5 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.2 m -106.89 146.22 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 19.3 p-10 -116.1 94.0 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -48.71 140.0 8.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.91 -67.36 0.55 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -90.44 123.73 34.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.936 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -144.05 136.57 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -143.33 135.47 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -42.93 150.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.933 0.397 . . . . 0.0 110.808 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -147.34 110.21 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.819 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.69 100.27 0.72 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 m -111.07 159.32 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.888 0.375 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 p -90.87 134.99 34.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.8 166.22 12.4 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.59 139.09 37.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -106.66 -1.3 22.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.53 166.31 23.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.14 31.85 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 m -156.63 142.06 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 13' ' ' VAL . 8.8 p -73.6 117.82 63.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.18 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 149.3 66.49 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.99 5.59 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -133.27 26.63 4.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.529 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.34 140.73 88.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.643 0.735 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.529 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 54.4 Cg_endo -69.72 -26.87 27.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.9 p -105.06 -24.67 12.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 120.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -123.24 105.51 9.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG2' HG22 ' A' ' 37' ' ' VAL . 13.2 mttp -70.38 111.85 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.1 m -107.34 173.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.515 ' O ' HG13 ' A' ' 26' ' ' VAL . 19.4 m -142.95 105.08 4.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -54.96 120.66 7.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' A' ' 90' ' ' LYS . 25.5 m -118.64 163.22 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.742 ' OD1' HG22 ' A' ' 31' ' ' VAL . 6.5 p-10 -95.87 -178.57 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -41.05 59.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.97 -35.93 82.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.86 3.26 25.07 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.742 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.7 m -69.17 164.88 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -98.44 106.99 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.63 -60.91 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.69 146.98 18.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.3 p -90.52 148.17 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.77 169.49 36.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.53 HG22 ' HG2' ' A' ' 22' ' ' LYS . 69.7 t -127.17 121.63 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.9 tpp -93.44 128.36 39.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -110.08 133.19 53.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.736 HD11 HG23 ' A' ' 97' ' ' ILE . 6.7 mp -102.62 99.39 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 43' ' ' SER . 71.4 p -113.96 137.73 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.162 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -39.83 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 7.3 m -73.76 -71.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -161.36 -176.23 5.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 62' ' ' LEU . 10.9 mt -92.08 134.02 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.651 HG22 ' CG ' ' A' ' 56' ' ' ARG . 70.3 t -133.45 145.99 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.526 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 16.0 mt -109.38 162.83 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.426 ' C ' HD23 ' A' ' 49' ' ' LEU . 96.4 m-70 -133.17 108.72 8.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -150.13 158.78 44.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 51' ' ' ARG . 16.5 p80 -93.71 -42.39 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' HIS . 2.2 mmp_? -35.12 -64.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -120.93 177.83 4.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.69 163.57 13.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 135.04 56.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.515 HG11 ' CG2' ' A' ' 82' ' ' THR . 5.7 t -115.4 146.29 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.651 ' CG ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -133.92 175.06 9.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.732 ' HZ2' HG21 ' A' ' 82' ' ' THR . 24.3 m-90 -155.44 121.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.77 121.87 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.248 . . . . 0.0 112.377 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 62' ' ' LEU . 16.8 m-85 -41.98 -24.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.796 HD13 ' CD2' ' B' ' 16' ' ' TYR . 3.9 mm? -68.28 -68.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 98.9 m -43.69 -34.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 59' ' ' TYR . 17.7 mt -52.29 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -63.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -125.71 146.84 49.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 43.6 p90 -144.44 110.95 5.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.91 -159.5 12.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.406 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 2.7 p90 -164.24 165.97 21.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.357 . . . . 0.0 110.96 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -174.19 161.22 3.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.9 t -41.03 128.31 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.0 p-10 32.12 36.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.6 tm? -146.3 127.57 14.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.462 ' N ' HD13 ' A' ' 71' ' ' LEU . 32.9 t80 -146.23 116.59 7.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -131.34 168.88 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -160.19 139.75 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -97.58 161.67 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 p -154.47 154.15 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.69 -139.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -123.36 -22.48 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 0.0 110.894 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -66.73 -13.95 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.0 p -60.02 175.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.36 -44.92 23.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.732 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 37.6 p -67.29 -32.75 73.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 93.6 154.22 30.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.482 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' GLY . 3.5 pt20 -35.11 132.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.05 147.17 4.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.493 HG22 HD12 ' B' ' 4' ' ' LEU . 68.5 mt -95.36 141.63 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -130.56 116.24 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.8 150.03 25.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.433 ' CD2' ' HA ' ' A' ' 25' ' ' ASN . 4.0 m-85 -142.71 143.69 32.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.544 ' HG3' HG11 ' A' ' 26' ' ' VAL . 32.5 mttp -85.16 130.17 34.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.2 t -169.23 111.05 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -59.66 -21.74 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 36.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.46 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.415 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 7.0 tt0 -52.01 -58.5 6.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -42.43 -43.96 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.736 HG23 HD11 ' A' ' 40' ' ' LEU . 10.0 mt -72.7 -35.73 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -73.43 -23.64 60.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 28.0 m-20 -89.71 -24.82 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.688 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.4 tt -91.05 -26.31 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.14 -55.95 23.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -57.5 -17.74 15.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.52 -34.69 35.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 16.7 mt -87.62 -42.07 12.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.473 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 37.3 mmm -53.39 -38.51 63.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 107' ' ' CYS . 4.8 pt20 -76.9 -29.73 55.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 1.8 t -56.44 -30.99 63.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 105' ' ' MET . 0.3 OUTLIER -42.99 138.44 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.3 p -44.92 135.18 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.62 ' O ' HG13 ' A' ' 112' ' ' VAL . 14.9 mm -113.18 78.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 44.34 37.94 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.641 HG23 ' HG3' ' A' ' 113' ' ' MET . 35.1 m -108.36 -17.78 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.641 ' HG3' HG23 ' A' ' 112' ' ' VAL . 42.2 mtm -131.62 -176.24 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.424 ' CD ' ' N ' ' A' ' 114' ' ' GLU . 0.7 OUTLIER -130.74 107.16 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -137.71 140.14 28.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.47 53.81 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 117' ' ' VAL . 13.7 p -108.63 111.59 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 119' ' ' ILE . 3.0 mm -71.44 153.15 8.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.423 ' N ' HG22 ' A' ' 118' ' ' ILE . 3.5 pt -112.34 118.97 59.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.9 p -117.91 88.61 2.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 121' ' ' ARG . 1.6 tmm_? -97.44 94.98 7.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -127.43 71.57 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.6 p -162.56 178.74 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -103.9 137.73 19.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.589 0.709 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 146.77 61.36 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.72 2.28 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -169.17 152.65 5.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.116 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -141.4 171.84 13.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 45.8 tp -165.09 141.36 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.87 144.11 45.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.84 HD22 ' C ' ' A' ' 130' ' ' LEU . 0.0 OUTLIER -103.83 151.51 38.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.887 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 120.97 7.68 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.637 2.224 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.39 165.94 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -143.43 144.34 27.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -171.8 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.309 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -143.88 148.75 43.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.565 0.698 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.84 9.52 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -169.85 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -157.66 172.59 18.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -174.59 178.37 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 140' ' ' LEU . 3.0 tt -157.99 151.05 22.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -123.75 176.2 16.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -173.29 157.54 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.929 0.395 . . . . 0.0 110.911 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.8 155.62 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.193 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.4 -175.17 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.8 t -145.58 166.8 24.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.8 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.833 0.349 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 32.4 t80 -86.8 130.06 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -91.09 118.36 30.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.493 HD12 HG22 ' A' ' 86' ' ' ILE . 13.7 mt -85.58 -178.03 6.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -107.61 -27.89 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -155.95 -177.35 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.415 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 2.3 t80 -94.39 120.23 65.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.701 0.762 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -45.62 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.415 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 8.6 m -50.41 140.64 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.92 -39.45 2.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -103.9 82.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.99 161.54 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.545 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 1.8 t30 -131.26 96.49 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.56 143.43 57.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.39 -101.25 1.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.796 ' CD2' HD13 ' A' ' 60' ' ' LEU . 48.7 m-85 -38.75 111.77 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.937 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -144.89 168.74 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' B' ' 19' ' ' GLN . 37.1 mt-30 -114.73 146.69 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' B' ' 18' ' ' GLN . 13.4 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 m -123.88 162.01 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -129.41 14.29 6.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.75 174.93 13.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -110.6 115.61 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -137.53 125.87 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.17 56.2 0.75 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.1 mt -104.39 152.23 22.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.96 137.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -94.88 85.99 4.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -157.67 158.97 36.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m 39.7 40.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.66 115.24 1.4 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.661 0.744 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.74 33.45 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -94.09 -1.06 54.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -103.86 -11.77 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 2.6 t-80 -44.22 120.51 3.74 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.601 0.715 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.09 32.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.493 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 22.7 p -97.26 -28.03 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 9.1 mptt -109.87 152.49 25.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.4 m-85 -154.83 105.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -61.95 122.64 15.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.6 m -121.04 165.47 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -135.74 110.29 8.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.31 130.75 48.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -130.8 170.72 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.71 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -105.18 -174.98 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.35 -42.97 61.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.27 -33.56 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.07 0.48 26.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.71 HG22 ' OD1' ' A' ' 27' ' ' ASP . 11.5 m -60.55 165.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.129 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -103.75 115.12 29.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 17.6 mt -92.26 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.54 155.49 23.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.0 p -98.32 144.23 27.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -154.74 164.43 31.69 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -117.97 121.69 67.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.816 0.341 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.9 ttm -93.19 134.94 34.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.19 132.05 53.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.809 HD11 HG23 ' A' ' 97' ' ' ILE . 8.4 mp -101.85 112.13 24.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -127.9 139.43 52.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -38.95 -32.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.9 m -66.49 -67.05 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -170.69 -176.66 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 101' ' ' LEU . 10.1 mt -89.32 132.2 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 56' ' ' ARG . 99.3 t -131.18 138.34 53.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.726 HD12 ' CH2' ' A' ' 57' ' ' TRP . 12.6 mt -106.81 158.17 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -126.83 119.74 27.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt -121.75 -176.47 3.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -116.61 -69.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -67.14 -24.21 65.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -112.12 169.16 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.55 171.34 12.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.52 151.0 30.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.594 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 40.9 t -122.18 154.25 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG2' HG22 ' A' ' 46' ' ' VAL . 28.8 mtt180 -129.8 142.71 50.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.726 ' CH2' HD12 ' A' ' 47' ' ' LEU . 16.5 m-90 -135.42 114.08 11.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.538 0.685 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 132.08 22.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.266 . . . . 0.0 112.32 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.904 ' HA ' HD12 ' A' ' 62' ' ' LEU . 20.7 m-85 -49.86 -18.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 61' ' ' CYS . 5.7 mt -74.97 -73.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 63' ' ' ARG . 90.1 m -37.16 -38.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 59' ' ' TYR . 21.8 mt -40.91 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 61' ' ' CYS . 11.0 mmm180 -59.92 -36.03 76.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.533 ' HB2' HG21 ' B' ' 12' ' ' VAL . 9.1 ptp180 -166.88 149.59 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' C ' HG23 ' B' ' 12' ' ' VAL . 51.4 p90 -143.44 114.86 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -116.38 -161.55 12.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -162.08 161.34 28.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.858 0.361 . . . . 0.0 110.93 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.0 m-20 -151.23 166.38 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' ASP . 5.8 m -36.69 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -123.8 37.35 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.3 tm? -146.82 139.23 24.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.753 ' N ' HD13 ' A' ' 71' ' ' LEU . 45.3 t80 -145.87 121.59 10.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.0 t -136.32 160.24 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 5.1 p90 -147.99 149.19 31.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -105.98 166.21 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -148.82 153.53 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.18 -147.32 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.83 -27.97 7.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -65.89 -14.32 61.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 p -67.93 163.12 22.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -59.72 -65.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.1 p -49.83 -33.47 16.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.8 177.79 40.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -51.16 147.06 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.935 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 133.11 149.57 6.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 81.6 mt -98.88 148.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -133.43 124.04 26.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -107.58 159.99 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 3.5 m-85 -149.95 143.43 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -94.31 139.0 31.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -160.87 173.69 14.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.5 p -109.74 -12.53 14.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 0.3 OUTLIER -120.34 28.38 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -40.03 -49.77 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.485 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 36.0 tt0 -53.43 -53.11 55.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -40.96 -50.12 3.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.809 HG23 HD11 ' A' ' 40' ' ' LEU . 9.8 mt -68.16 -33.36 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -76.89 -19.16 57.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 29.0 m-20 -88.86 -23.93 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.4 tp -94.68 -26.42 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 45' ' ' LEU . 12.4 mt -58.02 -59.29 5.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 106' ' ' GLN . 17.3 pt20 -59.34 -22.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.21 -30.53 60.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 73.7 mt -94.2 -31.47 14.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 88.7 mtp -72.89 -59.37 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 102' ' ' GLN . 3.2 pp0? -40.91 -38.06 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.2 t -45.28 -43.91 10.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' SER . 76.7 m-20 54.31 45.2 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' ASN . 23.6 m -38.07 127.59 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.421 HG22 ' OD1' ' A' ' 111' ' ' ASN . 5.2 mp -102.94 -54.61 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.13 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.421 ' OD1' HG22 ' A' ' 110' ' ' ILE . 17.6 m-20 -120.99 -39.65 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 1.2 p -43.88 -24.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.2 mmt -114.56 179.23 4.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.34 118.69 5.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.48 148.69 70.63 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.639 0.733 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.778 ' HG2' HD11 ' A' ' 118' ' ' ILE . 53.8 Cg_endo -69.78 -176.22 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 69.1 t -84.84 118.07 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.778 HD11 ' HG2' ' A' ' 116' ' ' PRO . 4.8 mp -130.1 157.19 42.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.507 ' N ' HG22 ' A' ' 118' ' ' ILE . 0.2 OUTLIER -83.52 140.46 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.0 t -126.95 167.12 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -102.11 79.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 46.58 45.08 14.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.9 m -144.98 114.63 7.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -134.94 144.06 48.79 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 162.21 43.01 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -87.08 82.17 7.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -84.06 105.48 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.7 tt -165.23 141.12 5.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.02 158.9 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.2 pp -118.79 123.02 29.34 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.6 0.714 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -169.88 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.728 2.286 . . . . 0.0 112.338 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.433 ' C ' ' CD ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -119.16 177.86 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -100.2 134.19 20.98 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 111.09 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -179.59 3.01 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.461 ' CG ' ' HD2' ' A' ' 136' ' ' PRO . 30.4 tt0 -146.34 140.95 15.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 135' ' ' GLN . 53.3 Cg_endo -69.76 116.32 4.5 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.346 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.03 1.69 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -126.08 175.65 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -157.71 175.4 13.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.496 HD23 ' C ' ' A' ' 140' ' ' LEU . 5.0 tt -156.96 151.6 25.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -143.0 -175.38 16.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.44 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -156.72 151.14 25.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.0 0.428 . . . . 0.0 110.943 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 19.8 p -129.72 165.95 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 13.3 p -131.89 147.13 32.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.6 m -118.81 173.83 6.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.821 -179.813 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.602 HD11 ' CZ2' ' A' ' 57' ' ' TRP . 4.3 mm? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.855 0.36 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 18.7 t80 -50.75 121.9 6.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -74.14 127.36 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.0 mt -100.33 178.56 4.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -121.94 -35.13 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -123.15 175.08 6.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 1.8 t80 -109.96 111.68 58.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.679 0.752 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' B' ' 9' ' ' CYS . 53.9 Cg_endo -69.68 -40.96 4.82 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.485 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 79.9 m -36.85 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.55 -67.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -83.61 59.42 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.533 HG21 ' HB2' ' A' ' 64' ' ' ARG . 7.4 p -70.66 143.91 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' B' ' 14' ' ' TYR . 6.0 t30 -107.71 77.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' B' ' 13' ' ' ASN . 25.1 m-85 -36.21 134.27 0.43 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -126.35 -172.46 13.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 42.09 38.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 110.937 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -142.16 140.4 32.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -98.17 147.47 24.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -117.59 -48.67 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t -118.29 132.57 56.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.82 -142.72 9.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -105.45 124.05 48.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 p -118.6 -51.41 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.85 -153.25 23.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.27 123.95 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.889 0.376 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -118.25 106.67 13.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.45 117.38 17.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -105.11 118.49 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.2 p -76.49 110.72 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 13' ' ' VAL . 12.1 p -140.59 120.26 8.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.87 68.99 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.62 -1.61 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -127.1 31.66 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -62.17 139.48 96.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.825 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.72 27.25 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 p -106.08 -22.78 12.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -117.12 138.53 51.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -135.58 105.53 6.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -68.39 105.13 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.68 168.79 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.3 m -133.42 105.95 7.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 128.65 38.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 31' ' ' VAL . 27.2 m -128.92 173.95 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.627 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -104.09 -174.6 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -41.98 73.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.63 -35.97 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.95 24.17 5.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.658 ' O ' HG12 ' A' ' 26' ' ' VAL . 13.5 m -83.73 164.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -98.09 109.33 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.7 mt -88.7 -62.06 1.57 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.2 155.56 26.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -87.45 158.29 19.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.38 165.06 35.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.2 t -121.44 120.88 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.439 ' CE ' HD21 ' A' ' 47' ' ' LEU . 18.9 ttm -98.76 137.26 37.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.647 ' O ' HD23 ' A' ' 45' ' ' LEU . 40.8 tt0 -117.96 130.61 56.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.749 HD11 HG23 ' A' ' 97' ' ' ILE . 6.5 mp -106.54 91.13 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -127.41 141.25 51.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 68.4 mm-40 -35.15 -45.83 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -47.59 -71.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -174.25 175.11 2.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 HD11 ' A' ' 62' ' ' LEU . 8.7 mt -87.57 134.23 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.02 142.31 43.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.966 HD12 ' CH2' ' A' ' 57' ' ' TRP . 15.4 mt -122.36 125.63 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -104.87 100.09 9.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' N ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -133.11 83.31 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ARG . 13.5 p-80 -36.81 -35.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' HIS . 10.9 mmm180 -34.18 -55.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -117.61 -74.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -174.83 174.2 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.15 152.76 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HB ' ' CH2' ' A' ' 57' ' ' TRP . 5.1 t -142.24 146.24 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.1 mtt85 -120.05 147.82 44.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.966 ' CH2' HD12 ' A' ' 47' ' ' LEU . 25.9 m-90 -135.73 112.09 10.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.531 0.682 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.79 117.82 5.31 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.44 ' HD1' HD12 ' A' ' 62' ' ' LEU . 17.0 m-85 -38.97 -29.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.639 HD12 ' HG3' ' A' ' 113' ' ' MET . 4.8 mt -58.55 -50.73 72.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.7 p -63.82 -34.46 77.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.66 HD11 HD12 ' A' ' 45' ' ' LEU . 16.8 mt -59.78 108.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 ttt85 -111.3 -54.08 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HD2' ' CD2' ' B' ' 7' ' ' PHE . 4.0 ttp180 -105.82 105.63 15.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 35.0 p90 -135.57 115.39 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 -153.62 8.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -158.37 174.49 15.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 110.94 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -172.08 -175.61 1.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 104.67 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 6.5 t30 52.31 36.62 20.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.657 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.8 OUTLIER -145.84 133.45 20.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.657 ' N ' HD13 ' A' ' 71' ' ' LEU . 68.3 t80 -146.03 118.64 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.4 t -132.93 166.74 21.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -157.3 160.96 39.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -97.22 166.36 11.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.0 t -152.83 145.5 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' GLN . . . -77.33 -151.75 4.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -28.46 7.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -63.38 -15.16 56.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.8 p -78.33 163.5 25.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -53.82 -68.4 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.513 ' CG2' HG11 ' A' ' 55' ' ' VAL . 73.8 p -50.47 -53.42 29.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.0 175.21 26.61 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.7 mt-30 -41.23 149.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.41 141.31 4.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.436 HG22 HD12 ' B' ' 4' ' ' LEU . 77.2 mt -94.69 136.27 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.102 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.01 126.18 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.507 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -106.65 158.8 16.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -150.23 140.65 22.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -93.3 127.97 39.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.1 p -162.02 128.39 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.6 t -64.35 -11.15 29.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 ptp85 -111.32 31.08 6.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -53.4 -51.5 62.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.409 ' HG2' ' ND2' ' A' ' 99' ' ' ASN . 13.0 tt0 -53.88 -54.26 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -41.37 -53.13 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.749 HG23 HD11 ' A' ' 40' ' ' LEU . 10.6 mt -63.97 -35.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -23.55 59.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' A' ' 95' ' ' GLU . 83.1 m-20 -86.77 -22.87 25.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.5 tp -93.98 -30.92 14.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.644 HD21 HD11 ' A' ' 45' ' ' LEU . 10.6 mt -56.65 -60.43 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -54.66 -29.63 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -39.18 90.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.6 mt -78.79 -26.45 44.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 10.5 mmm -75.37 -48.48 22.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -70.54 -32.4 69.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 47.2 t -44.44 -41.12 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -174.19 114.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.3 t -121.28 35.1 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 111' ' ' ASN . 5.4 mp -102.79 75.71 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER 34.35 54.08 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.3 m -87.03 23.66 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.639 ' HG3' HD12 ' A' ' 60' ' ' LEU . 5.9 mmt -112.73 46.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -104.12 49.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -139.56 150.47 63.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 164.8 33.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 85.7 t -106.84 109.32 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 120' ' ' THR . 5.0 mp -111.02 133.77 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.5 pt -61.09 76.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.659 HG22 ' H ' ' A' ' 122' ' ' ASN . 10.8 m -81.76 144.59 30.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' SER . 0.3 OUTLIER -129.47 16.34 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.659 ' H ' HG22 ' A' ' 120' ' ' THR . 8.6 t-20 -56.55 87.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 121' ' ' ARG . 6.8 t -106.94 82.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -73.75 113.24 21.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 162.65 41.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -157.66 125.48 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.417 ' CD ' ' O ' ' A' ' 127' ' ' GLU . 1.7 pp20? -47.62 138.0 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.589 ' C ' HD12 ' A' ' 128' ' ' LEU . 4.1 pp -111.25 176.89 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -130.31 153.98 48.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.483 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.1 pp -104.69 141.12 21.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 179.14 3.88 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -152.28 174.7 13.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -122.93 124.08 26.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.228 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -143.46 126.37 8.88 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.557 0.694 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 128.53 16.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -173.85 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -174.33 134.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -163.36 -177.82 5.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -107.39 83.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 62.44 92.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.524 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.548 ' O ' ' CD1' ' A' ' 142' ' ' TYR . 53.3 p90 -90.92 111.08 22.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.403 . . . . 0.0 110.929 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 23.0 m -164.26 108.56 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.2 m -147.53 157.97 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.4 t -136.82 142.34 42.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.821 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 14.7 t80 -94.95 127.97 41.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.472 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 11.5 ptp180 -78.22 127.58 32.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 88' ' ' ALA . 31.4 mt -104.25 166.77 10.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -102.59 -41.26 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -128.3 168.98 14.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.462 ' CD2' ' HD2' ' A' ' 64' ' ' ARG . 2.2 t80 -89.61 117.52 68.22 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.651 0.738 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.35 8.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' B' ' 10' ' ' GLY . 2.9 t -117.37 160.58 20.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.49 ' N ' ' SG ' ' B' ' 9' ' ' CYS . . . -129.96 -24.75 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -91.86 53.26 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.92 150.25 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 6.3 t30 -124.23 77.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -46.71 144.15 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' B' ' 16' ' ' TYR . . . -129.25 -159.15 9.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' B' ' 15' ' ' GLY . 4.9 m-85 35.3 44.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -78.94 131.31 36.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -121.49 155.23 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -156.08 168.54 26.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.836 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -173.05 161.81 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.27 143.4 15.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -119.82 126.1 50.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.903 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 p -130.39 142.13 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.21 152.22 21.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -170.37 164.0 8.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.37 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -138.83 109.62 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 mmm-85 -143.59 139.17 29.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -117.2 82.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 t -170.51 115.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.2 t -127.64 111.16 20.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 171.04 15.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.96 8.28 30.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -124.7 8.53 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.476 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.9 t-80 -44.99 139.26 3.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.75 -35.41 12.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.331 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.0 p -95.55 -24.73 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -116.42 144.99 43.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -140.22 105.1 4.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -70.45 115.26 9.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -112.62 165.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 26' ' ' VAL . 58.5 m -134.8 99.18 4.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -53.2 130.75 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 24' ' ' THR . 33.4 m -130.33 173.88 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.691 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.4 p-10 -104.05 -178.13 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.93 -45.49 51.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.71 -41.11 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 121.06 3.28 10.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.691 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.5 m -66.15 164.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 0.0 111.096 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -100.22 117.09 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.8 mt -100.43 -64.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.72 124.28 3.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.4 m -84.15 140.17 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.09 170.88 28.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -117.07 123.79 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.525 ' CG ' HD22 ' A' ' 45' ' ' LEU . 37.2 tpp -95.87 131.51 42.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HG2' HG23 ' A' ' 41' ' ' THR . 20.3 tt0 -115.55 131.02 57.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.743 HD11 HG23 ' A' ' 97' ' ' ILE . 8.0 mp -98.87 95.33 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.525 HG23 ' HG2' ' A' ' 39' ' ' GLU . 76.2 p -112.38 137.41 50.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.4 mp0 -37.74 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.5 t -69.38 -67.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -170.39 -179.04 2.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 101' ' ' LEU . 8.3 mt -88.28 130.17 35.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 56' ' ' ARG . 98.5 t -129.74 142.48 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HB1' ' A' ' 54' ' ' ALA . 23.8 mt -105.16 160.78 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.546 ' C ' HD12 ' A' ' 49' ' ' LEU . 95.5 m-70 -131.92 103.02 6.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 49' ' ' LEU . 5.1 mp -116.28 152.44 33.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.457 ' CG ' ' N ' ' A' ' 51' ' ' ARG . 1.4 t-80 -88.13 -72.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.799 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 50' ' ' HIS . 28.5 mmt180 -56.96 -54.91 41.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -86.87 171.1 11.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.65 173.69 11.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . -90.8 159.07 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.571 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 7.6 t -128.34 151.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HG2' HG22 ' A' ' 46' ' ' VAL . 8.9 mtp85 -130.76 134.94 47.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.571 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 21.7 m-90 -127.12 112.95 21.68 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.1 Cg_endo -69.74 121.13 7.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.638 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.0 m-85 -39.45 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.601 HD22 ' CE2' ' B' ' 16' ' ' TYR . 4.0 mm? -67.64 -68.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 73.3 m -49.28 -32.18 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 59' ' ' TYR . 10.8 mt -56.22 99.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -69.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.75 ' HB2' HG21 ' B' ' 12' ' ' VAL . 14.1 ptt180 -127.16 160.74 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 8.0 p90 -144.84 119.43 9.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.73 -174.19 20.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -156.35 174.81 14.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.923 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -173.43 173.89 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 p -51.19 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -125.33 35.91 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.7 OUTLIER -145.17 132.35 20.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.734 ' N ' HD13 ' A' ' 71' ' ' LEU . 30.0 t80 -143.25 110.51 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.3 t -130.4 161.89 30.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -152.04 142.98 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -104.39 147.19 27.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -145.34 152.76 40.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -57.64 -166.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -100.51 -15.9 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 0.0 110.889 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' N ' ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -64.34 -12.95 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -80.17 171.45 15.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -58.75 -68.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.535 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 32.0 p -46.1 -39.64 9.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.84 169.34 43.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.413 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 14.5 pt20 -40.53 116.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 161.82 143.26 3.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.548 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.502 HG22 HD12 ' B' ' 4' ' ' LEU . 42.7 mt -94.97 152.29 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 20.1 m-85 -140.54 123.71 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.504 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -104.3 156.88 17.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 12.6 m-85 -150.7 135.22 17.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -84.45 129.0 34.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.7 p -169.42 116.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.8 m -60.27 -14.8 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.423 ' NE ' ' HG2' ' A' ' 96' ' ' GLU . 12.7 tpt180 -99.25 29.16 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -62.16 -67.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 8.8 tt0 -33.18 -62.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HG2' ' NE ' ' A' ' 93' ' ' ARG . 1.2 mp0 -38.38 -53.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.743 HG23 HD11 ' A' ' 40' ' ' LEU . 21.0 mt -61.67 -33.24 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -76.58 -18.59 58.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -92.27 -22.99 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.634 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.8 tt -93.46 -32.48 14.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.752 HD21 HD11 ' A' ' 45' ' ' LEU . 11.2 mt -57.64 -64.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -49.22 -29.63 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.43 -33.6 74.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.4 mt -89.84 -32.38 16.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.4 mmm -55.03 -49.89 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -34.12 6.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 49.9 t -47.06 -36.73 8.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 55.72 50.76 13.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -64.33 128.62 36.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.82 HG22 ' ND2' ' A' ' 111' ' ' ASN . 13.9 mm -115.84 105.42 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.82 ' ND2' HG22 ' A' ' 110' ' ' ILE . 12.8 p30 37.75 40.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.475 HG23 ' N ' ' A' ' 113' ' ' MET . 32.7 m -78.57 -43.07 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.475 ' N ' HG23 ' A' ' 112' ' ' VAL . 32.3 mtp -109.75 175.48 5.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.43 110.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.03 142.71 30.42 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.622 0.725 . . . . 0.0 110.864 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.669 ' O ' HD12 ' A' ' 118' ' ' ILE . 53.6 Cg_endo -69.77 -172.98 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.97 129.16 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 116' ' ' PRO . 5.4 mp -121.45 158.46 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.53 ' N ' HG22 ' A' ' 118' ' ' ILE . 7.8 pt -83.43 38.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 39.9 p -143.48 171.35 14.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -63.2 101.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -171.76 148.41 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.2 t -47.24 143.1 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -134.06 120.88 15.36 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 175.75 7.64 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.4 176.05 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -109.82 -179.58 3.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.1 mt -116.86 -178.68 3.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -127.92 -175.74 3.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.544 ' O ' HD12 ' A' ' 130' ' ' LEU . 2.5 pp -114.53 152.62 46.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -177.6 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 0.0 112.38 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -135.35 135.88 41.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -82.45 144.64 49.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -165.56 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -141.55 148.52 50.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 136.75 33.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -171.86 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -145.21 179.29 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -154.19 177.17 11.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.9 tp -164.45 106.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -86.71 -176.63 49.42 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.478 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -143.08 163.03 33.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.878 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 144' ' ' VAL . 9.1 m -143.27 161.04 39.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.116 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.462 ' N ' HG22 ' A' ' 143' ' ' THR . 11.9 p -133.01 153.06 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 73.5 m -115.33 179.18 4.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.862 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.403 HD23 ' CG ' ' A' ' 87' ' ' PHE . 6.8 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.875 0.369 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.9 t80 -113.34 136.99 52.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -87.21 115.15 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.502 HD12 HG22 ' A' ' 86' ' ' ILE . 12.9 mt -88.54 167.62 13.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -110.55 -42.71 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -127.2 150.0 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.428 ' HB2' ' NH2' ' A' ' 64' ' ' ARG . 1.9 t80 -72.86 117.25 58.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -42.3 3.55 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 0.0 112.347 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 85.3 m -83.6 98.66 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.41 -43.52 87.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -69.79 89.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.75 HG21 ' HB2' ' A' ' 64' ' ' ARG . 12.0 p -113.57 151.06 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.572 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 24.1 p-10 -126.8 94.71 4.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -47.2 137.68 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.07 -69.89 0.59 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.601 ' CE2' HD22 ' A' ' 60' ' ' LEU . 9.7 m-85 -81.39 118.57 22.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 0.0 110.945 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.448 ' H ' ' NE2' ' B' ' 17' ' ' GLN . 2.3 pm0 -129.96 176.41 8.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -97.26 80.21 2.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -158.47 129.31 6.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -113.19 135.34 53.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.03 175.4 44.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -150.87 168.07 25.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -146.95 132.36 18.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.56 169.57 32.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.434 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -58.94 140.21 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -98.87 42.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -94.05 39.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.6 125.51 15.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.4 m -57.09 122.21 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 13' ' ' VAL . 3.1 p -39.8 113.66 0.9 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.654 0.74 . . . . 0.0 111.107 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -164.0 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.641 2.228 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -121.17 13.74 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -125.58 0.26 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -43.79 133.45 3.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -18.94 36.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.8 p -113.02 -29.04 7.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -108.06 130.72 55.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CD1' HG12 ' A' ' 97' ' ' ILE . 40.6 m-85 -130.74 108.08 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.64 ' HG2' HG22 ' A' ' 37' ' ' VAL . 22.7 mttm -63.24 110.59 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.7 m -105.91 174.03 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 86.9 m -136.61 109.32 7.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -56.19 118.27 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.574 HG11 ' HD2' ' A' ' 90' ' ' LYS . 26.9 m -122.12 173.53 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.899 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.7 p-10 -108.26 -176.61 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -40.08 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.75 -34.27 76.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.56 8.22 23.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.455 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.899 HG22 ' OD1' ' A' ' 27' ' ' ASP . 10.6 m -69.62 164.37 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.769 0.318 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -101.8 113.28 26.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -94.21 -57.6 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -145.08 144.74 13.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.441 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -86.42 145.09 26.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -152.47 169.52 31.63 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.64 HG22 ' HG2' ' A' ' 22' ' ' LYS . 84.3 t -125.5 123.46 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.6 tpp -94.91 133.92 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -121.06 133.58 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 97' ' ' ILE . 7.8 mp -102.66 125.15 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -139.4 151.51 46.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -54.17 -14.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.2 t -85.95 -64.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.91 -178.46 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 101' ' ' LEU . 11.6 mt -88.7 141.78 28.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.74 149.66 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.584 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 12.5 mt -122.83 147.08 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.475 ' C ' HD12 ' A' ' 49' ' ' LEU . 97.2 m-70 -124.52 116.02 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD12 ' C ' ' A' ' 48' ' ' HIS . 6.8 mp -129.68 121.7 27.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -62.18 -21.42 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -95.14 -52.51 4.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -89.8 -177.19 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.62 178.42 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.92 113.56 20.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 t -105.4 146.68 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.172 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.26 161.02 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.584 ' CZ3' HD12 ' A' ' 47' ' ' LEU . 19.9 m-90 -146.52 113.81 4.4 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.564 0.697 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 131.01 20.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' HA ' HD12 ' A' ' 62' ' ' LEU . 24.2 m-85 -48.46 -27.84 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.32 -63.12 1.28 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.7 p -53.61 -38.96 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 59' ' ' TYR . 35.6 mt -47.49 88.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.4 mmm-85 -53.8 -40.75 66.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -156.96 156.8 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.447 ' O ' ' CD2' ' A' ' 65' ' ' TYR . 43.7 p90 -147.09 109.23 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.45 -158.56 11.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -167.23 170.51 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -172.71 163.26 5.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' LEU . 46.2 t -42.55 129.01 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 69' ' ' SER . 33.2 t30 32.87 35.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' SER . 1.3 tm? -153.27 126.47 8.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.434 ' N ' HD13 ' A' ' 71' ' ' LEU . 12.9 t80 -145.99 117.97 8.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.1 t -131.04 167.32 19.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -152.8 142.05 21.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -98.6 154.87 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.4 p -149.56 145.29 26.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.03 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 5.1 ppt_? -105.45 -17.04 14.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.731 0.3 . . . . 0.0 110.853 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -67.6 -12.81 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' GLN . 7.5 p -78.31 145.81 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' CYS . 14.0 tt0 -34.53 -70.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 71.5 p -46.1 -56.75 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 119.61 -173.92 15.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -57.95 132.33 53.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.374 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.0 148.93 4.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.1 mt -100.93 149.88 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.371 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CD2' HD12 ' B' ' 1' ' ' LEU . 2.7 m-85 -136.79 135.57 38.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.1 148.65 42.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -141.42 137.23 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.574 ' HD2' HG11 ' A' ' 26' ' ' VAL . 73.3 mttt -84.46 147.33 27.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -164.0 178.56 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 m -111.63 -21.89 11.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -118.8 45.56 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.19 -44.76 79.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.88 -53.56 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -44.2 -45.22 8.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.635 HG23 HD11 ' A' ' 40' ' ' LEU . 11.0 mt -71.7 -34.18 51.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -76.84 -20.81 55.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -90.01 -22.58 21.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 tt -90.95 -38.99 12.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.491 HD21 HD11 ' A' ' 45' ' ' LEU . 12.1 mt -50.66 -53.57 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -63.75 -13.88 47.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -83.16 -30.92 27.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -93.97 -32.83 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 81.6 mtp -73.15 -39.06 65.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -54.23 -26.37 28.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.6 t -66.22 -40.41 90.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 56.96 29.46 16.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.807 ' O ' HG22 ' A' ' 112' ' ' VAL . 28.6 t -44.72 131.27 6.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.4 mp -90.41 -34.5 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.446 ' ND2' ' N ' ' A' ' 111' ' ' ASN . 0.4 OUTLIER -60.17 -9.05 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 109' ' ' SER . 34.4 m -84.76 -8.59 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.731 ' HG3' HG23 ' A' ' 112' ' ' VAL . 20.5 mtt -140.11 174.08 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.72 -178.36 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -52.34 138.93 37.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.63 0.728 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.71 57.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 6.6 p -99.75 129.25 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.91 116.18 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 14.0 mt -72.38 140.36 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 t -86.37 -39.23 16.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -84.48 130.62 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -170.27 160.1 7.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -175.08 156.39 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -146.39 142.56 17.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.613 0.72 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 172.52 12.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -131.93 131.31 42.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -142.67 160.33 40.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 tp -168.31 149.23 4.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.94 168.24 9.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.1 pp -124.15 137.36 28.89 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.705 . . . . 0.0 110.892 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -176.28 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -175.25 158.43 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -173.11 130.86 0.58 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.711 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.391 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -145.76 106.87 4.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 126.81 13.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.272 . . . . 0.0 112.369 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -168.57 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -175.27 152.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -173.07 140.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 16.4 tp -174.85 129.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -142.48 153.16 24.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -171.43 140.99 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 110.915 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 74.6 p -119.91 119.22 32.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 144' ' ' VAL . 2.3 m -91.1 -178.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 69.5 m -131.72 131.77 43.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.804 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 87' ' ' PHE . 4.1 mm? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.811 0.338 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 47.9 t80 -91.12 131.77 36.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -83.95 114.41 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 13.9 mt -93.47 168.98 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -104.2 -34.4 8.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.28 173.01 12.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' B' ' 9' ' ' CYS . 1.5 t80 -83.03 119.5 74.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.615 0.722 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -5.09 15.39 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.473 ' HB3' ' CE2' ' B' ' 7' ' ' PHE . 42.5 t -111.08 158.92 18.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.14 -26.15 1.73 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -99.97 82.55 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.407 HG23 ' C ' ' A' ' 65' ' ' TYR . 13.9 p -105.74 151.38 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.7 t30 -120.54 86.45 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' B' ' 19' ' ' GLN . 13.2 m-85 -39.05 151.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.87 -91.08 1.01 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -51.02 -50.2 58.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -72.21 109.62 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -82.58 43.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.572 ' HG2' ' CD2' ' B' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.7 p -137.92 150.38 47.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.827 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -167.68 112.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.52 124.02 4.74 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -98.7 105.41 17.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -127.01 151.92 47.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.9 -157.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.7 158.24 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' ARG . 2.3 p30 -117.14 116.96 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -36.64 152.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -164.38 120.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 73.77 42.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG11 ' CB ' ' A' ' 20' ' ' LYS . 25.3 t -62.5 130.55 93.48 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.56 57.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.14 -5.46 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -128.54 41.94 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.546 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 1.8 t-80 -75.57 134.95 72.27 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.575 0.702 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.75 -22.18 32.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.546 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 25.7 p -107.57 -27.72 10.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 1.6 mppt? -113.31 159.21 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.5 m-85 -157.03 105.02 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.6 ' HG3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -56.44 143.49 34.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -148.64 174.32 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.464 ' O ' HG13 ' A' ' 26' ' ' VAL . 60.0 m -150.35 116.7 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' B' ' 1' ' ' LEU . 15.5 t-20 -63.42 107.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 24' ' ' THR . 16.2 m -112.19 163.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.726 ' OD1' HG22 ' A' ' 31' ' ' VAL . 22.2 p-10 -102.33 -176.45 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.54 ' OD1' HD23 ' B' ' 4' ' ' LEU . 3.4 m-20 -47.0 -49.42 20.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -59.65 -32.92 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.26 0.04 31.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.726 HG22 ' OD1' ' A' ' 27' ' ' ASP . 18.4 m -58.54 164.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG2' HG21 ' A' ' 24' ' ' THR . 25.9 mt-10 -95.5 103.53 15.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.516 HD13 ' HB2' ' B' ' 2' ' ' PHE . 24.0 mt -80.63 -61.91 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.79 131.71 5.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 p -86.98 134.7 33.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 110.845 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.35 168.11 35.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.6 HG22 ' HG3' ' A' ' 22' ' ' LYS . 59.4 t -115.57 121.52 67.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.329 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.531 ' CG ' HD22 ' A' ' 45' ' ' LEU . 22.8 tpp -86.11 128.44 34.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.555 ' HG2' HG23 ' A' ' 41' ' ' THR . 43.5 tt0 -114.17 130.65 56.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.796 HD11 HG23 ' A' ' 97' ' ' ILE . 9.1 mp -99.72 88.47 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' HG2' ' A' ' 39' ' ' GLU . 18.3 p -108.01 135.18 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' THR . 17.2 mp0 -36.04 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 41' ' ' THR . 18.7 m -66.97 -65.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -172.82 -177.68 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.548 HD11 HD21 ' A' ' 101' ' ' LEU . 11.3 mt -88.85 116.1 26.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.753 HG22 ' HG2' ' A' ' 56' ' ' ARG . 88.6 t -118.25 137.78 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.6 mt -100.91 147.06 26.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.94 116.8 26.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 52' ' ' ARG . 7.9 mp -116.27 -174.79 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -105.04 105.24 15.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 58.75 31.16 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 49' ' ' LEU . 21.4 mmt180 -120.87 -177.54 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -83.48 142.47 30.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.16 117.92 30.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.482 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 11.0 t -93.49 143.17 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.753 ' HG2' HG22 ' A' ' 46' ' ' VAL . 56.4 mtt180 -126.69 149.51 49.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.482 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.6 m-90 -138.26 112.55 8.69 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.514 0.673 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 125.11 11.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.716 2.277 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.98 -21.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.527 ' HA ' ' CD2' ' B' ' 16' ' ' TYR . 1.3 mt -64.96 -48.1 75.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.73 -33.83 75.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 62' ' ' LEU . 10.7 mt -57.29 90.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -80.66 -53.87 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.84 ' HG3' HG21 ' B' ' 12' ' ' VAL . 59.5 ttp180 -120.45 127.6 52.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.608 ' O ' HG23 ' B' ' 12' ' ' VAL . 18.1 p90 -139.48 117.32 11.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.01 -164.63 17.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -165.76 149.07 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.954 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -141.71 169.24 17.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.2 m -43.56 -65.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -125.07 37.35 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.505 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -151.8 120.73 6.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.505 ' N ' HD13 ' A' ' 71' ' ' LEU . 13.1 t80 -131.21 106.01 8.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.1 t -119.18 160.18 22.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.49 139.56 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -97.97 157.09 16.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 m -152.67 152.15 31.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.39 -150.44 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.69 -31.73 9.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -48.52 -26.23 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 17.0 p -67.67 166.58 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -58.76 -68.04 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.449 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 29.8 p -49.82 -46.36 51.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.41 -179.76 22.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.64 158.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 117.16 149.83 9.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -90.71 145.54 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' B' ' 1' ' ' LEU . 82.5 m-85 -126.86 118.33 24.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -99.34 157.12 16.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' CZ ' HD13 ' B' ' 1' ' ' LEU . 62.3 m-85 -153.05 135.89 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -86.12 119.45 26.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.0 t -138.5 167.71 21.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.0 t -100.54 -47.07 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -98.02 53.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -55.2 -65.35 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 98' ' ' PHE . 12.1 tt0 -35.12 -61.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 95' ' ' GLU . 6.0 mm-40 -37.39 -57.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.796 HG23 HD11 ' A' ' 40' ' ' LEU . 16.4 mt -58.5 -32.08 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.24 -32.36 61.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -83.44 -26.28 30.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 100' ' ' LEU . 2.2 tt -85.78 -36.65 19.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.548 HD21 HD11 ' A' ' 45' ' ' LEU . 11.2 mt -47.45 -68.53 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -46.81 -39.65 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -57.32 -37.16 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.472 HD11 HD22 ' A' ' 100' ' ' LEU . 34.0 mt -85.64 -33.97 21.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.6 mtp -49.95 -35.39 23.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -72.93 -36.26 67.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.582 ' O ' HD11 ' A' ' 110' ' ' ILE . 6.5 t -75.93 -29.92 58.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -52.46 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 m 64.54 54.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.582 HD11 ' O ' ' A' ' 107' ' ' CYS . 5.1 mp -103.05 78.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 42.69 52.26 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.9 m -46.68 -26.33 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 14.5 mmt -44.05 102.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' GLU . 7.7 tt0 -157.26 153.02 26.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' GLU . 6.8 pt-20 -34.59 151.58 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -174.09 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 94.7 t -141.92 136.69 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.5 mp -88.83 145.68 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.4 pt -92.88 144.37 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.8 p -93.64 176.16 6.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 tpp85 -53.09 122.51 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -76.83 132.22 39.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.5 t -67.36 176.21 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -84.76 139.14 37.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.537 0.685 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -175.08 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.693 2.262 . . . . 0.0 112.379 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -140.39 170.14 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.55 154.42 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -132.89 152.3 51.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.905 ' N ' HD22 ' A' ' 128' ' ' LEU . 5.3 t70 -119.44 152.37 36.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.9 pp -99.35 139.2 20.75 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -178.31 2.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -123.1 152.43 41.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -51.77 134.73 36.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.567 0.699 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.01 2.14 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -141.02 139.47 19.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 120.24 7.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.272 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 175.54 7.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.631 2.221 . . . . 0.0 112.344 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -124.29 116.98 23.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -117.6 176.74 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.543 ' C ' HD12 ' A' ' 140' ' ' LEU . 4.1 pp -103.33 163.64 12.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.415 ' O ' HD12 ' A' ' 140' ' ' LEU . . . -94.3 -108.23 2.06 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.496 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -138.27 159.79 41.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.985 0.421 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.619 ' O ' HG22 ' A' ' 143' ' ' THR . 24.8 m -105.65 38.4 1.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.1 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 144' ' ' VAL . 24.8 t 39.75 38.15 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.4 m -98.87 100.58 11.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 87' ' ' PHE . 15.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.578 ' CE2' ' O ' ' B' ' 3' ' ' ARG . 56.5 t80 -175.04 160.87 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.658 ' HE ' ' N ' ' B' ' 3' ' ' ARG . 0.0 OUTLIER -113.35 119.85 39.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 88' ' ' ALA . 11.6 mt -91.53 167.77 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 26.1 mtt-85 -104.35 -42.46 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -137.62 157.92 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -76.09 116.85 59.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.87 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 92.3 m -63.82 155.81 29.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.32 -67.21 0.49 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.48 98.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.382 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.84 HG21 ' HG3' ' A' ' 64' ' ' ARG . 2.6 p -120.75 133.01 68.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.523 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 5.8 t30 -110.8 80.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' B' ' 13' ' ' ASN . 33.4 m-85 -35.78 144.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -120.06 -95.15 1.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.527 ' CD2' ' HA ' ' A' ' 60' ' ' LEU . 8.6 m-85 -66.56 77.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.34 . . . . 0.0 110.88 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -115.33 143.21 45.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -54.81 120.83 7.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -167.24 137.46 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -159.5 173.22 16.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.97 136.49 3.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -173.25 150.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -143.25 176.37 9.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.9 175.64 22.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -152.13 174.37 13.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -162.17 144.84 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -133.43 172.17 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -109.73 -58.45 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.9 t -108.78 138.91 44.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -44.09 112.62 1.4 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.585 0.707 . . . . 0.0 111.171 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 159.68 52.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.411 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -75.85 1.68 14.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -132.09 35.21 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.8 t-80 -67.25 139.45 94.91 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.8 -28.7 24.72 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.0 p -98.12 -33.33 11.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 151.41 32.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -145.62 105.87 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -67.36 119.9 12.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.6 m -115.77 166.8 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.5 m -131.36 117.33 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.5 106.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 32' ' ' GLU . 33.3 m -120.44 164.48 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.52 -174.02 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.649 ' HA ' HD21 ' B' ' 4' ' ' LEU . 18.2 t70 -52.48 -48.8 65.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -59.65 -46.85 87.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 131.25 1.83 4.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 26' ' ' VAL . 2.8 t -54.09 154.33 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.483 ' HA ' HG12 ' A' ' 26' ' ' VAL . 48.0 mt-10 -103.72 107.15 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.31 -63.96 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.16 171.44 23.65 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -106.72 151.56 24.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.22 163.6 35.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.8 t -123.07 121.32 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.524 ' CG ' HD22 ' A' ' 45' ' ' LEU . 34.1 tpp -92.0 130.26 37.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' HG2' HG23 ' A' ' 41' ' ' THR . 51.6 tt0 -112.26 131.48 55.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.699 HD11 HG23 ' A' ' 97' ' ' ILE . 8.2 mp -99.43 92.86 5.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 39' ' ' GLU . 77.7 p -113.2 134.86 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' THR . 15.6 mm-40 -34.77 -34.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' THR . 16.7 t -62.97 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -171.8 179.1 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.02 HD11 HD21 ' A' ' 101' ' ' LEU . 12.8 mt -87.6 130.76 34.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -134.3 142.36 41.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.3 mt -104.04 165.81 10.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -133.54 109.23 9.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -127.09 177.81 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.528 ' H ' ' CD2' ' A' ' 50' ' ' HIS . 1.7 p80 -113.54 -69.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 13.7 mmm180 -59.04 -34.74 72.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -98.02 175.78 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.622 ' O ' HD13 ' A' ' 49' ' ' LEU . 21.3 mm-40 -90.51 179.08 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.69 119.28 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.429 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 41.4 t -101.69 134.04 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.1 mtm-85 -123.35 170.06 10.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.518 ' CZ2' HG21 ' A' ' 82' ' ' THR . 7.3 m-90 -155.53 112.64 2.22 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.609 0.718 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.76 113.67 3.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' PRO . 24.3 m-85 -34.81 -32.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.53 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 2.0 tt -54.59 -61.98 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.8 p -56.01 -39.8 72.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 84.1 mt -59.51 80.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 70.8 mtt180 -82.45 -54.8 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.985 ' HG3' HG21 ' B' ' 12' ' ' VAL . 48.3 ttp180 -104.98 118.11 35.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.573 ' O ' HG23 ' B' ' 12' ' ' VAL . 24.3 p90 -138.41 118.27 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.65 -160.24 14.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -164.32 175.09 10.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -169.27 169.07 9.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 m -40.5 -63.14 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -132.16 43.43 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.1 tm? -150.44 125.52 9.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.6 ' N ' HD13 ' A' ' 71' ' ' LEU . 21.3 t80 -134.84 115.3 13.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.0 t -129.26 167.07 18.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -156.31 154.23 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.633 ' OE2' HD11 ' A' ' 86' ' ' ILE . 4.1 mm-40 -97.12 162.41 13.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 98.7 p -152.89 135.82 15.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.33 -127.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.536 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -128.4 -47.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -49.59 -23.42 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.8 p -63.41 174.46 1.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.826 ' OE1' HG23 ' A' ' 82' ' ' THR . 4.6 tm0? -68.34 -62.05 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.826 HG23 ' OE1' ' A' ' 81' ' ' GLN . 6.8 p -56.85 -36.08 69.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 84' ' ' GLN . . . 77.37 171.03 35.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 83' ' ' GLY . 38.6 mt-30 -33.74 133.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.933 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.22 133.61 3.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.533 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.633 HD11 ' OE2' ' A' ' 75' ' ' GLU . 70.7 mt -91.03 145.99 6.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -131.87 122.74 26.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.34 145.22 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 89' ' ' PHE . 1.9 m-85 -137.68 146.63 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -90.71 115.24 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.1 t -130.96 151.37 51.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -80.58 -35.34 34.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -110.82 46.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.19 -55.01 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 98' ' ' PHE . 10.1 tt0 -47.9 -57.78 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.26 -55.81 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.699 HG23 HD11 ' A' ' 40' ' ' LEU . 13.4 mt -59.87 -32.24 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.5 OUTLIER -75.5 -25.6 57.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -88.91 -24.61 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.576 ' O ' HD23 ' A' ' 100' ' ' LEU . 2.4 tt -91.34 -30.72 16.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.02 HD21 HD11 ' A' ' 45' ' ' LEU . 10.9 mt -55.24 -64.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -49.91 -33.68 18.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -59.57 -37.06 77.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.9 mt -88.88 -41.4 12.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 61.3 mtp -51.6 -51.0 59.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.39 -42.8 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 44.4 t -47.06 -41.6 17.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' SER . 89.2 m-20 54.92 40.42 31.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' ASN . 31.3 p -34.85 119.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.2 mp -97.68 -54.93 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -51.41 -36.35 43.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.1 p -49.03 -21.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 10.2 mtt -71.32 155.18 40.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' GLU . 3.2 pp20? -57.9 177.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLU . 35.6 mm-40 -37.7 149.85 0.18 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.619 0.724 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 152.39 69.0 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.313 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 95.6 t -140.75 116.61 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.151 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.598 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.7 mp -71.61 127.93 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 pp -121.43 147.36 25.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 120' ' ' THR . 14.1 t -45.59 118.58 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -77.37 151.21 34.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -139.72 177.59 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.9 p -50.98 173.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -173.06 139.0 0.85 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.553 0.692 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -176.12 1.38 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.722 2.281 . . . . 0.0 112.365 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -151.5 154.1 35.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -84.92 177.58 7.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 128' ' ' LEU . 3.7 pp -127.89 162.39 26.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.41 -179.57 3.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.2 pp -119.03 152.15 51.49 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -167.26 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.309 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.85 175.41 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -120.69 152.37 55.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.567 0.699 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -176.98 1.68 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -143.34 122.99 7.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 160.18 50.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.632 2.222 . . . . 0.0 112.336 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -173.37 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -135.64 176.27 8.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.28 170.5 11.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.7 tp -146.37 134.86 22.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -77.89 -148.25 3.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -171.03 167.81 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.991 0.424 . . . . 0.0 110.933 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.2 t -153.91 169.6 23.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.515 HG22 ' N ' ' A' ' 145' ' ' SER . 14.5 p -157.02 160.25 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.515 ' N ' HG22 ' A' ' 144' ' ' VAL . 2.1 t -150.25 152.56 34.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.816 -179.769 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -92.02 133.43 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -94.43 116.85 29.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.649 HD21 ' HA ' ' A' ' 28' ' ' ASP . 14.2 mt -84.42 171.6 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -113.3 -43.01 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -123.89 148.9 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -73.8 114.99 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.695 0.76 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.739 2.293 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 78.4 m -62.08 146.44 50.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.43 0.53 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -69.09 92.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.985 HG21 ' HG3' ' A' ' 64' ' ' ARG . 6.2 p -114.47 140.38 35.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.464 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 4.0 t30 -121.49 84.16 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' B' ' 13' ' ' ASN . 42.7 m-85 -36.33 145.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -110.68 -61.91 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.53 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 5.6 m-85 -83.86 45.79 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' B' ' 16' ' ' TYR . 21.3 mp0 -154.6 110.32 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -116.84 147.78 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -167.23 136.47 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -83.74 176.85 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.94 -153.37 5.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 m -151.39 143.74 24.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -139.76 149.2 43.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.12 151.52 5.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.529 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.08 137.44 45.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 110.938 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -124.76 97.0 5.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -121.93 89.54 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -150.47 150.08 30.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -51.93 169.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 13' ' ' VAL . 13.8 p -47.9 118.2 6.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 152.11 69.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.373 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.23 1.98 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -131.17 34.82 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.529 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 1.8 t-80 -68.77 136.56 90.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.557 0.694 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -31.6 20.17 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.454 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 41.4 p -100.28 -21.05 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HE3' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -116.33 135.93 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -139.73 107.39 5.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -69.19 123.29 20.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -116.92 -175.39 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 26' ' ' VAL . 97.9 m -151.98 106.03 3.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -51.45 128.64 23.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 24' ' ' THR . 34.5 m -133.59 167.03 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.708 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -104.64 -179.39 3.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.35 -52.76 7.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.474 ' HB2' HG13 ' A' ' 31' ' ' VAL . 7.5 mt-10 -59.21 -25.78 64.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.48 -0.92 46.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.708 HG22 ' OD1' ' A' ' 27' ' ' ASP . 5.7 m -55.5 163.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.787 0.327 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -104.92 108.8 20.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.8 mt -93.29 -61.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.72 127.59 4.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -84.06 142.29 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.62 170.83 31.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.8 t -117.42 124.13 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 38.0 ttm -98.05 121.52 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.626 ' HG2' HG23 ' A' ' 41' ' ' THR . 62.6 tt0 -110.21 130.63 55.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.501 HD11 HG23 ' A' ' 97' ' ' ILE . 8.1 mp -97.53 91.2 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.626 HG23 ' HG2' ' A' ' 39' ' ' GLU . 36.7 p -108.74 135.15 50.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -38.19 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' THR . 15.8 m -66.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -172.08 179.56 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD12 HD11 ' A' ' 62' ' ' LEU . 10.2 mt -87.9 127.89 35.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.8 t -125.59 148.04 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 47' ' ' LEU . 12.2 mt -115.28 152.58 32.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -126.26 109.57 12.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.527 HD12 ' H ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -143.42 174.03 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -112.23 -39.66 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -52.7 -51.04 62.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' H ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -116.74 173.48 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -80.34 149.61 30.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.6 138.67 5.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.593 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 4.7 t -117.72 157.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.7 mtt180 -136.6 157.58 46.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.593 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 11.8 m-90 -152.73 113.98 2.78 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.552 0.691 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 125.63 12.41 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.799 ' HA ' HD12 ' A' ' 62' ' ' LEU . 17.3 m-85 -42.6 -28.65 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.49 -64.71 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' ARG . 23.5 m -48.3 -43.97 33.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 59' ' ' TYR . 45.1 mt -40.71 94.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' CYS . 47.1 mtt180 -53.98 -49.47 68.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.497 ' HD3' HG21 ' B' ' 12' ' ' VAL . 0.8 OUTLIER -152.31 164.8 36.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.604 ' O ' HG23 ' B' ' 12' ' ' VAL . 46.3 p90 -141.87 123.47 15.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.8 -164.51 11.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 95' ' ' GLU . 4.4 p90 -162.38 170.26 19.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.932 0.396 . . . . 0.0 110.89 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 69' ' ' SER . 25.0 m-20 -163.97 165.51 22.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' ASP . 26.1 t -37.75 -65.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -131.46 37.08 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.5 tm? -145.08 140.0 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.662 ' N ' HD13 ' A' ' 71' ' ' LEU . 37.2 t80 -145.64 119.35 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.6 t -132.55 155.1 49.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -144.95 144.31 30.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -100.29 143.66 30.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -130.08 153.63 48.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -61.85 -138.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -124.85 -41.5 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 79' ' ' ARG . 3.2 ptp180 -58.06 -15.81 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.13 155.15 11.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 82' ' ' THR . 9.3 tt0 -45.46 -67.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.463 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 19.1 p -58.3 -43.54 88.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.89 -178.47 27.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -49.5 139.68 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.87 134.8 2.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.43 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.522 HG22 HD12 ' B' ' 4' ' ' LEU . 48.8 mt -93.97 134.98 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.883 0.373 . . . . 0.0 111.122 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CD1' ' HB2' ' B' ' 1' ' ' LEU . 2.6 m-85 -123.52 122.13 37.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -102.19 155.06 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -145.71 154.39 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HG3' HG11 ' A' ' 26' ' ' VAL . 41.2 mttm -102.47 132.44 48.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 43.5 t -161.14 161.95 31.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.8 t -92.14 -40.39 11.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.4 mtt85 -92.5 35.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.593 ' HA ' HD12 ' A' ' 97' ' ' ILE . . . -58.64 -32.94 69.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 39.4 tt0 -66.14 -59.74 3.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -48.05 -22.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 94' ' ' ALA . 80.0 mt -78.94 -33.92 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -74.74 -43.78 53.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.585 ' OD1' ' CZ ' ' A' ' 98' ' ' PHE . 61.8 m-20 -66.66 -37.42 84.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.3 tp -73.99 -34.8 64.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.514 HD21 HD11 ' A' ' 45' ' ' LEU . 10.7 mt -54.32 -49.6 69.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.51 ' NE2' ' ND2' ' B' ' 13' ' ' ASN . 14.7 pt20 -67.21 -18.74 65.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.35 -29.62 34.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 88.6 mt -90.19 -39.7 12.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.7 mtp -55.95 -39.92 72.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -71.04 -14.51 62.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' ASN . 1.8 t -78.75 -43.04 26.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' CYS . 1.6 p-10 -34.85 132.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' ASN . 5.6 m -36.48 123.3 0.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 32.4 mm -107.9 -54.1 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -123.57 45.34 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.77 ' O ' HG12 ' A' ' 112' ' ' VAL . 55.3 t -92.25 67.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.477 ' C ' ' O ' ' A' ' 112' ' ' VAL . 1.7 ptp -31.06 107.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -149.07 149.89 31.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -45.28 131.71 5.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 145.1 56.15 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 96.7 t -125.07 112.83 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 118' ' ' ILE . 5.3 mp -136.06 121.59 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.0 pt -78.46 -34.11 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 m -144.68 133.16 21.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -106.32 146.2 30.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -142.06 118.01 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.9 t -45.43 155.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -78.65 143.51 63.26 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 146.09 59.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.637 2.225 . . . . 0.0 112.385 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -84.07 108.98 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -92.77 148.09 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 pp -131.8 160.63 35.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -169.88 160.62 8.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.3 pp -115.25 145.48 34.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.1 35.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 133' ' ' ALA . 0.4 OUTLIER -108.61 174.8 5.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 132' ' ' ARG . . . -114.24 141.42 26.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.17 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' ' 135' ' ' GLN . 5.9 pm0 -109.08 140.05 21.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.622 0.725 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 129.1 17.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.729 2.286 . . . . 0.0 112.367 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 158.29 57.4 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.244 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -138.09 130.19 28.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -160.53 173.87 14.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.9 pp -161.71 178.23 9.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -160.17 171.94 36.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.465 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -132.2 176.08 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.923 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 40.6 m -154.96 126.43 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 49.1 t -106.82 144.95 15.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t -149.58 158.73 44.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.777 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 87' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.839 0.352 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 13.0 t80 -90.29 119.23 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -82.15 129.99 34.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.522 HD12 HG22 ' A' ' 86' ' ' ILE . 13.4 mt -94.05 -179.32 4.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.49 -27.2 6.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -143.16 164.09 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.9 t80 -89.87 117.51 68.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.89 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.376 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.466 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 63.6 m -50.85 139.09 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.7 -52.69 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -80.87 98.98 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 65' ' ' TYR . 7.6 p -120.72 137.89 53.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.554 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 9.0 p-10 -116.21 83.69 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 47.1 m-85 -34.35 149.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 17' ' ' GLN . . . -117.02 -77.45 0.63 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.41 75.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.957 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' B' ' 15' ' ' GLY . 26.2 tp60 -69.91 127.44 32.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -108.3 174.63 5.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -169.73 147.93 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 t -159.67 117.59 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.19 135.65 8.03 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 p -147.49 111.11 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -80.05 163.88 23.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 98.0 0.12 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.416 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.09 82.3 4.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -159.68 149.61 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -79.01 116.22 19.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -149.55 108.34 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ASP . 60.7 p -35.76 131.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -78.34 111.94 22.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.668 0.746 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 154.63 67.59 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.67 2.246 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.65 2.55 44.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 4.8 t30 -111.34 -3.13 15.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -42.12 132.01 2.6 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.635 0.731 . . . . 0.0 110.832 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' O ' ' CZ ' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.78 -33.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.255 . . . . 0.0 112.364 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 p -94.33 -21.29 19.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.38 135.57 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 18' ' ' PRO . 65.2 m-85 -136.02 118.82 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -83.55 113.37 20.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.88 -175.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.623 ' O ' HG13 ' A' ' 26' ' ' VAL . 96.3 m -159.18 109.81 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.98 112.05 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.693 HG11 ' HG3' ' A' ' 90' ' ' LYS . 31.9 m -117.09 178.59 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.165 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.606 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.1 p-10 -115.31 -175.76 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.21 -48.85 45.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -60.55 -38.86 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.51 5.7 16.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.606 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.6 m -62.89 164.34 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' OE2' HG21 ' A' ' 24' ' ' THR . 28.0 mt-10 -100.43 105.47 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.79 -60.13 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.23 129.32 4.52 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -84.15 142.04 30.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.94 169.61 34.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -120.65 121.1 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.4 tpp -91.52 131.8 36.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -118.23 130.66 56.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.764 HD11 HG23 ' A' ' 97' ' ' ILE . 6.3 mp -100.69 97.22 7.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' GLN . 50.7 p -113.06 137.92 50.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.9 mp0 -34.67 -37.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 41' ' ' THR . 32.7 m -62.18 -67.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -171.64 -175.34 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.542 HD11 HD21 ' A' ' 101' ' ' LEU . 15.4 mt -88.18 133.8 33.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.1 138.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 mt -100.79 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -130.25 108.37 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mp -123.87 -176.01 3.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.537 ' CG ' ' N ' ' A' ' 51' ' ' ARG . 0.5 OUTLIER -117.63 -75.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.537 ' N ' ' CG ' ' A' ' 50' ' ' HIS . 0.8 OUTLIER -48.25 -56.14 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -174.67 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.35 178.62 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.79 132.86 35.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.587 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 21.4 t -108.17 151.32 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -139.68 160.86 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.587 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 10.7 m-90 -151.83 114.39 2.97 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.2 Cg_endo -69.74 123.59 10.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 0.0 112.346 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 62' ' ' LEU . 20.7 m-85 -39.43 -25.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 mt -66.3 -65.55 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.2 m -44.38 -39.19 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 59' ' ' TYR . 62.3 mt -50.29 112.75 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -95.77 -32.62 12.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -148.69 130.69 15.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 65' ' ' TYR . 53.4 p90 -143.74 108.67 4.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.43 -162.69 11.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.735 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 12.8 p90 -147.99 172.71 13.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -170.0 -175.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -63.24 109.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 44.85 32.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -138.94 126.94 22.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.432 ' N ' HD13 ' A' ' 71' ' ' LEU . 44.6 t80 -136.16 114.41 11.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -133.66 157.77 44.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -149.71 138.65 21.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -98.55 159.42 14.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.8 m -154.49 153.48 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -59.29 -153.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -15.82 12.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.32 . . . . 0.0 110.879 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -70.67 -13.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.77 178.56 4.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -66.42 -70.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.583 HG21 ' HZ2' ' A' ' 57' ' ' TRP . 52.7 p -50.84 -33.0 21.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 -171.4 30.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -60.93 155.88 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.374 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 123.56 148.91 7.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.463 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.9 mt -98.31 126.62 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HE2' ' HG1' ' A' ' 82' ' ' THR . 7.5 m-85 -110.85 123.34 49.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.502 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.99 154.06 23.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.4 m-85 -148.5 146.97 28.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.693 ' HG3' HG11 ' A' ' 26' ' ' VAL . 70.2 mttt -89.25 116.35 27.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 4.9 t -126.99 166.05 18.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.3 m -93.79 -36.2 12.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.476 ' HB3' ' CG ' ' A' ' 96' ' ' GLU . 49.1 mtp180 -112.44 47.81 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -44.84 -54.58 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 98' ' ' PHE . 24.5 tt0 -51.89 -57.02 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.476 ' CG ' ' HB3' ' A' ' 93' ' ' ARG . 26.6 mm-40 -38.36 -55.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.764 HG23 HD11 ' A' ' 40' ' ' LEU . 21.2 mt -59.33 -33.79 52.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.6 OUTLIER -77.89 -21.28 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -91.55 -28.08 17.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.1 tp -85.95 -35.4 20.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 45' ' ' LEU . 11.1 mt -47.34 -64.13 0.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -53.52 -33.1 53.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.56 -26.02 66.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.1 mt -89.68 -34.02 16.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 7.0 mtt -67.08 -61.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -41.72 -39.3 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.1 t -41.1 -45.37 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 109' ' ' SER . 3.7 t-20 66.53 54.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 108' ' ' ASN . 3.8 p -33.67 136.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 41.9 mm -108.02 -58.99 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -50.33 -20.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 113' ' ' MET . 8.4 p -56.9 -39.6 66.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.417 ' N ' HG13 ' A' ' 112' ' ' VAL . 45.5 mtm 42.28 51.71 4.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -114.29 40.24 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.14 160.51 37.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.647 0.737 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 174.32 9.68 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 117' ' ' VAL . 9.4 p -43.63 109.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 25.7 mm -146.25 145.09 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 33.7 mt -93.76 121.47 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.0 t -148.45 172.16 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -88.18 119.58 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -60.13 152.99 22.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.7 p -168.42 174.98 6.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -153.04 124.63 3.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.7 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -167.47 0.23 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.716 2.278 . . . . 0.0 112.391 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -148.76 170.15 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -154.52 -176.45 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.727 HD12 ' N ' ' A' ' 129' ' ' ASP . 2.7 pp -154.76 -178.08 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.727 ' N ' HD12 ' A' ' 128' ' ' LEU . 5.3 t70 -154.35 166.59 32.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.6 pp -116.24 140.85 26.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -171.43 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -121.49 132.12 54.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -90.44 143.21 28.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -163.96 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.321 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.402 ' CG ' ' HD2' ' A' ' 136' ' ' PRO . 25.8 tt0 -144.07 140.72 17.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.402 ' HD2' ' CG ' ' A' ' 135' ' ' GLN . 54.0 Cg_endo -69.78 148.99 66.13 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -167.2 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.357 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -136.1 -176.64 4.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.569 ' C ' HD13 ' A' ' 140' ' ' LEU . . . -127.24 -178.29 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -139.69 172.65 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -122.17 -154.48 9.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -149.02 178.84 8.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.916 0.388 . . . . 0.0 110.975 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.486 HG22 ' N ' ' A' ' 144' ' ' VAL . 25.2 m -150.49 159.54 44.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.486 ' N ' HG22 ' A' ' 143' ' ' THR . 27.4 m -67.63 178.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.2 m -171.92 -177.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.843 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.877 0.37 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.52 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 37.1 t80 -74.87 144.71 43.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.52 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 2.0 mpp_? -105.89 136.33 45.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 29.1 mt -105.76 166.89 10.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -103.06 -40.16 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -131.19 127.96 39.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.0 t80 -51.85 120.17 15.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.662 0.744 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.24 2.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.468 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 75.8 m -67.91 127.58 33.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.67 -77.42 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -60.05 113.66 2.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.352 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.419 HG23 ' C ' ' A' ' 65' ' ' TYR . 13.6 p -133.63 152.77 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 13' ' ' ASN . 1.9 t30 -131.19 80.05 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' B' ' 13' ' ' ASN . 30.4 m-85 -37.59 144.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.75 -101.29 2.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' B' ' 17' ' ' GLN . 14.7 m-85 -46.85 -48.82 20.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' B' ' 16' ' ' TYR . 11.3 tt0 33.91 50.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -54.83 156.84 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -170.86 153.53 3.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -165.47 155.43 12.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.82 -178.13 41.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -161.71 155.29 21.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -158.33 129.03 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.14 159.03 14.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt -146.09 160.68 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -143.97 139.2 28.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -130.8 144.46 51.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -88.74 -62.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -68.98 144.24 54.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 13' ' ' VAL . 7.2 p -64.71 118.34 47.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.641 0.734 . . . . 0.0 111.145 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.73 156.77 62.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.28 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.17 -0.79 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -133.43 38.52 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.574 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.3 t-80 -71.09 142.68 87.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.0 Cg_endo -69.8 -45.59 1.51 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.2 p -85.94 -27.17 25.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HE2' ' ND1' ' A' ' 17' ' ' HIS . 1.6 mppt? -109.24 141.17 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 18' ' ' PRO . 97.0 m-85 -139.51 106.2 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -68.76 110.08 4.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -113.71 165.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.6 m -133.9 103.13 5.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.412 HD21 HD12 ' A' ' 33' ' ' LEU . 1.1 t30 -53.78 126.47 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 31' ' ' VAL . 23.9 m -125.7 -179.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.748 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.6 p-10 -108.7 -176.6 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.55 ' HA ' HD21 ' B' ' 4' ' ' LEU . 0.7 OUTLIER -53.9 -40.31 66.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.94 -35.52 80.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.84 17.04 8.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.748 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.4 m -78.27 164.31 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -99.77 108.83 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.412 HD12 HD21 ' A' ' 25' ' ' ASN . 31.0 mt -90.61 -56.45 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -148.77 143.4 10.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -84.27 142.97 29.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -145.08 162.63 28.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.9 t -112.18 122.07 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.7 tpp -99.8 132.48 45.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.587 ' HG2' HG23 ' A' ' 41' ' ' THR . 28.6 tt0 -123.48 130.99 53.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.665 HD22 HD23 ' A' ' 100' ' ' LEU . 8.2 mp -101.05 93.02 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.587 HG23 ' HG2' ' A' ' 39' ' ' GLU . 60.6 p -108.5 135.16 50.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -40.4 -26.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' THR . 71.4 m -72.11 -59.83 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -174.11 -179.22 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.665 HD11 HD21 ' A' ' 101' ' ' LEU . 12.8 mt -91.48 132.7 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 t -124.34 145.62 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.5 HD12 ' CH2' ' A' ' 57' ' ' TRP . 9.2 mt -123.22 140.67 52.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.515 ' C ' HD13 ' A' ' 49' ' ' LEU . 85.5 m-70 -130.26 119.22 22.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.909 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -119.94 -13.66 9.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.4 ' CG ' ' H ' ' A' ' 51' ' ' ARG . 23.9 t-80 -177.7 177.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' A' ' 50' ' ' HIS . 18.4 mmt85 -48.01 -32.94 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' HD3' ' N ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -50.36 158.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.518 ' N ' ' HD3' ' A' ' 52' ' ' ARG . 6.9 mm-40 -48.64 163.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 47' ' ' LEU . . . -109.24 145.87 35.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.462 ' CG1' ' CG2' ' A' ' 82' ' ' THR . 45.1 t -83.85 132.44 31.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.6 mtt180 -110.85 139.56 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.5 ' CH2' HD12 ' A' ' 47' ' ' LEU . 6.6 m-90 -123.94 111.86 28.88 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.562 0.696 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 113.13 3.27 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -43.12 -25.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.14 -65.22 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 63' ' ' ARG . 78.8 m -48.74 -43.99 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' CYS . 13.8 mt -35.85 93.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' CYS . 41.2 mmm-85 -67.41 -48.72 66.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.624 ' HB2' HG21 ' B' ' 12' ' ' VAL . 7.5 ptt-85 -144.29 143.12 30.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.482 ' C ' HG23 ' B' ' 12' ' ' VAL . 28.7 p90 -139.27 112.71 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.13 -164.71 20.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.556 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -163.38 173.25 13.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.14 164.15 17.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -41.94 -58.87 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.26 39.95 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -153.31 127.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -141.22 112.73 7.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.407 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . 26.2 t -131.13 163.85 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -148.32 137.66 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' OE1' ' NH1' ' A' ' 64' ' ' ARG . 15.9 tt0 -97.32 143.88 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -132.27 153.11 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.02 -143.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -113.09 -49.03 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -53.23 -16.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 p -59.39 143.41 49.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.491 ' OE1' HG23 ' A' ' 82' ' ' THR . 4.0 tm0? -41.25 -47.04 3.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.491 HG23 ' OE1' ' A' ' 81' ' ' GLN . 64.9 p -69.86 -51.83 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 107.93 171.71 21.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -47.5 132.8 13.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.91 134.96 2.98 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 92.1 mt -91.94 138.74 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CD1' HD12 ' B' ' 1' ' ' LEU . 17.0 m-85 -125.98 125.33 42.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -112.95 167.23 10.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 9.1 m-85 -159.09 140.31 12.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -90.03 124.51 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.74 -176.55 4.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -117.06 -22.49 8.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -114.07 42.51 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.66 -63.31 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -39.35 -55.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.46 -49.0 7.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.656 HG23 HD11 ' A' ' 40' ' ' LEU . 15.9 mt -66.93 -32.71 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -28.77 60.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -82.59 -27.76 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.665 HD23 HD22 ' A' ' 40' ' ' LEU . 62.7 tp -87.87 -41.92 12.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.665 HD21 HD11 ' A' ' 45' ' ' LEU . 12.0 mt -45.72 -62.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -54.23 -27.18 32.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.19 -34.15 49.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.6 -31.63 53.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.417 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 11.0 mtp -61.06 -32.46 72.1 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -97.23 -35.98 10.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.82 -9.61 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 105' ' ' MET . 18.6 p30 -58.03 165.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.8 m -67.26 89.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.4 mm -118.18 -42.72 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.122 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -87.83 29.07 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' MET . 2.6 p -129.62 87.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' VAL . 3.2 ptm -32.68 128.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -139.85 -177.64 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -37.67 145.72 0.29 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.743 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.38 67.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.46 149.1 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.544 HG23 HG23 ' A' ' 120' ' ' THR . 5.1 mp -103.5 131.77 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.6 pp -133.13 14.69 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.544 HG23 HG23 ' A' ' 118' ' ' ILE . 68.4 p -38.34 146.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -172.07 175.86 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 -72.11 160.93 31.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.8 p -130.39 92.97 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.493 ' H ' ' CD2' ' A' ' 124' ' ' HIS . 6.0 m-70 -68.18 145.3 97.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 165.5 30.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -150.12 161.13 42.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -84.69 134.26 34.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 78.5 mt -91.44 136.67 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -129.97 168.02 17.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 pp -112.92 145.43 33.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.717 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.77 3.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -112.29 133.42 54.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -124.97 145.68 50.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 174.3 9.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.738 2.292 . . . . 0.0 112.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -126.3 142.84 43.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 142.55 48.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -172.42 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -129.69 171.41 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.74 171.62 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.496 ' C ' ' CD2' ' A' ' 140' ' ' LEU . 0.0 OUTLIER -146.65 177.98 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -139.05 -169.37 11.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -144.66 164.29 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.943 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.9 t -146.94 153.27 39.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.163 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.8 p -131.72 153.39 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.5 p -146.54 141.28 26.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.873 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 87' ' ' PHE . 4.4 mm? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 49.6 t80 -44.77 131.67 6.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.23 107.29 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 28' ' ' ASP . 16.2 mt -79.82 -178.08 6.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -125.66 -37.23 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -131.7 139.18 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.12 112.97 10.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -48.27 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 98.2 m -66.66 96.13 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.89 -60.61 8.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -60.48 113.5 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 64' ' ' ARG . 13.8 p -136.24 145.13 31.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' B' ' 13' ' ' ASN . 5.4 p-10 -121.84 83.51 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -44.51 125.03 4.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' B' ' 16' ' ' TYR . . . -98.57 -164.77 30.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' B' ' 15' ' ' GLY . 11.0 m-85 34.53 41.68 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -54.16 124.22 15.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' B' ' 19' ' ' GLN . 30.5 tt0 -143.7 158.05 43.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' B' ' 18' ' ' GLN . 25.3 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -157.99 171.17 20.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -123.96 162.75 22.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.34 -57.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -39.29 154.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -159.45 170.16 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.85 94.56 0.94 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 27.7 mt -121.25 103.66 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -130.98 171.66 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 mtt85 -108.34 135.53 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -66.24 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.8 t -67.6 127.77 33.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 13' ' ' VAL . 13.7 p -72.7 121.97 86.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.674 0.749 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.51 7.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.375 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.0 -0.94 57.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -129.02 27.47 5.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -59.11 140.19 87.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.79 -31.08 21.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.242 . . . . 0.0 112.35 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -100.79 -20.38 15.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -119.28 145.53 46.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -147.65 108.27 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 146.42 53.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.9 m -139.55 152.23 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.526 ' O ' HG13 ' A' ' 26' ' ' VAL . 85.9 m -125.96 105.29 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' OD1' HD12 ' A' ' 33' ' ' LEU . 2.1 t-20 -52.62 118.25 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.587 HG12 ' O ' ' A' ' 31' ' ' VAL . 35.0 m -116.73 171.96 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.749 ' OD1' HG22 ' A' ' 31' ' ' VAL . 12.2 p-10 -107.7 176.26 5.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -46.25 -36.09 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.72 -35.27 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' NZ ' ' A' ' 90' ' ' LYS . . . 110.47 7.91 25.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.749 HG22 ' OD1' ' A' ' 27' ' ' ASP . 11.6 m -71.15 170.05 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.182 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -105.08 111.42 24.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD12 ' OD1' ' A' ' 25' ' ' ASN . 3.7 mt -89.44 -61.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.98 163.19 25.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -104.08 152.99 21.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.06 170.45 37.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.7 128.13 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.152 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.432 ' HE1' ' HE2' ' A' ' 74' ' ' PHE . 33.4 ttm -104.41 137.45 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.557 ' HG2' HG23 ' A' ' 41' ' ' THR . 55.5 tt0 -124.74 132.86 53.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.779 HD11 HG23 ' A' ' 97' ' ' ILE . 7.9 mp -101.08 88.1 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.557 HG23 ' HG2' ' A' ' 39' ' ' GLU . 66.7 p -102.08 138.2 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -39.06 -26.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 m -73.12 -68.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -167.42 -178.2 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.646 HD12 HD11 ' A' ' 62' ' ' LEU . 14.9 mt -88.42 132.76 34.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.9 t -129.6 143.35 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 13.1 mt -112.75 161.99 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -133.26 126.65 31.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' A' ' 52' ' ' ARG . 8.1 mt -130.16 -177.83 4.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.467 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 8.9 p80 -116.84 -44.29 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG2' ' CE1' ' A' ' 50' ' ' HIS . 10.2 mmm180 -89.02 -46.42 8.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.687 ' HB2' HD13 ' A' ' 49' ' ' LEU . 23.2 mmt180 -89.61 169.95 10.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.563 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.8 mp0 -81.36 167.46 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.5 129.19 36.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.759 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 8.1 t -96.87 147.21 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.36 139.55 45.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.759 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.2 m-90 -133.2 115.14 13.89 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.72 10.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.636 2.224 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -43.14 -35.17 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tt -53.77 -55.56 25.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.4 p -63.57 -30.34 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.646 HD11 HD12 ' A' ' 45' ' ' LEU . 18.1 mt -67.13 89.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -91.52 -56.41 3.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.822 ' HG3' HG21 ' B' ' 12' ' ' VAL . 33.0 ttm180 -97.37 125.78 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CZ ' ' O ' ' B' ' 13' ' ' ASN . 42.7 p90 -151.87 120.0 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.18 -153.99 8.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.629 ' CD1' ' CD2' ' A' ' 98' ' ' PHE . 3.7 p90 -167.21 166.74 14.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.377 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -166.39 169.38 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 70' ' ' ASN . 0.8 OUTLIER -45.45 110.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' SER . 1.9 p-10 46.17 37.15 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.2 tm? -144.21 134.91 24.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.573 ' N ' HD13 ' A' ' 71' ' ' LEU . 55.3 t80 -144.59 121.86 11.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.0 t -133.58 155.44 49.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.432 ' HE2' ' HE1' ' A' ' 38' ' ' MET . 9.2 p90 -147.48 144.85 28.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -108.18 148.31 30.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.7 p -143.84 151.76 40.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.09 -157.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -104.88 -8.68 18.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -75.88 -23.74 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.0 p -60.59 146.54 44.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -40.22 -60.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.6 p -54.28 -47.76 72.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 104.42 171.18 24.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.77 134.92 3.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.36 144.83 4.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.4 mt -96.71 149.03 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' CD2' HD23 ' B' ' 1' ' ' LEU . 1.5 m-85 -136.04 123.8 22.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.573 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -109.15 155.5 20.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 1.7 m-85 -145.32 151.8 38.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' NZ ' ' O ' ' A' ' 30' ' ' GLY . 30.7 mttp -98.08 123.1 41.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 45.3 t -164.02 110.0 1.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.6 t -52.29 -19.2 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -97.29 32.46 2.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -64.06 -66.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 94' ' ' ALA . 25.6 tt0 -33.72 -58.85 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -38.33 -52.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.779 HG23 HD11 ' A' ' 40' ' ' LEU . 8.1 mt -65.73 -35.3 74.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.629 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -71.74 -25.69 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -89.16 -27.06 20.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 25.9 tp -87.2 -26.55 23.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.442 HD21 HD11 ' A' ' 45' ' ' LEU . 12.5 mt -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -55.46 -18.65 7.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -38.31 24.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.8 mt -79.04 -40.71 30.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm -51.7 -40.15 59.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -80.34 -19.25 46.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 108' ' ' ASN . 49.8 t -66.96 -45.25 78.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 107' ' ' CYS . 11.5 p-10 -37.19 126.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -80.09 122.16 26.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.8 mp -102.05 79.75 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.169 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 44.32 33.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 m -99.61 8.39 8.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 37.6 mtt -144.62 155.03 43.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.3 104.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -104.08 149.31 37.12 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.751 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.42 2.34 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.488 ' C ' HD12 ' A' ' 118' ' ' ILE . 80.5 t -86.54 135.66 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.488 HD12 ' C ' ' A' ' 117' ' ' VAL . 4.6 mp -136.53 138.96 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 77.7 mt -62.47 105.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.2 p -129.28 165.97 20.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -80.17 -45.67 17.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -120.73 148.28 44.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 41.3 t -91.18 113.4 25.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -41.83 116.32 1.62 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.715 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 149.62 67.42 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 0.0 112.395 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.16 87.86 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -88.6 98.59 11.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.586 ' C ' HD12 ' A' ' 128' ' ' LEU . 4.2 pp -171.12 165.53 7.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -127.3 164.31 22.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.517 HD23 ' HD2' ' A' ' 131' ' ' PRO . 0.4 OUTLIER -51.44 107.03 0.73 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 110.891 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.517 ' HD2' HD23 ' A' ' 130' ' ' LEU . 53.7 Cg_endo -69.73 128.43 16.04 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.716 2.277 . . . . 0.0 112.336 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -177.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -161.59 142.71 8.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 153.93 68.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.373 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -113.85 124.01 31.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.716 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 119.52 6.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.94 152.56 36.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -118.1 143.0 46.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 tt -109.05 124.85 51.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 163.86 109.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.443 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -122.88 138.89 54.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.992 0.425 . . . . 0.0 110.883 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 8.9 t -109.44 155.13 21.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.13 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.89 143.99 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.2 m -41.66 115.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.3 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.847 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.509 HD21 ' HH2' ' A' ' 57' ' ' TRP . 11.0 mp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.809 0.338 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 41.4 t80 -116.51 137.13 52.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 ptm85 -90.12 122.42 33.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' B' ' 4' ' ' LEU . 13.3 mt -96.17 172.46 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -115.34 -29.16 6.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.819 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -137.25 164.07 29.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 3.7 t80 -91.15 118.44 68.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 74.3 m -52.75 117.16 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.22 -60.9 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -80.13 95.42 6.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.822 HG21 ' HG3' ' A' ' 64' ' ' ARG . 3.0 p -108.77 141.82 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.476 ' O ' ' CZ ' ' A' ' 65' ' ' TYR . 2.6 t30 -116.64 83.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -49.93 142.48 9.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.407 ' O ' ' N ' ' B' ' 17' ' ' GLN . . . -117.99 -82.0 0.83 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -61.92 80.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' B' ' 15' ' ' GLY . 16.3 pt20 -99.53 -21.74 15.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -128.68 105.06 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -131.74 160.96 33.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -173.69 124.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 163.55 12.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -173.55 158.2 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -171.72 166.81 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.49 55.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -95.11 93.18 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -100.33 161.84 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -120.49 -178.16 3.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 7.6 p-10 -64.74 -53.01 53.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -63.21 103.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 13' ' ' VAL . 7.6 p -96.68 104.47 18.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 13' ' ' VAL . 54.6 Cg_endo -69.68 -179.46 2.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -95.01 7.81 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -129.47 14.88 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.5 t-80 -53.37 139.45 47.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.536 0.684 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.81 -27.52 26.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.7 p -111.39 -13.52 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -122.24 147.97 45.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -150.76 107.58 3.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -65.38 122.72 17.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.0 m -116.01 163.09 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' VAL . 93.3 m -128.64 114.05 16.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -56.54 125.93 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG11 ' HG3' ' A' ' 90' ' ' LYS . 26.8 m -136.22 160.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' B' ' 2' ' ' PHE . 0.6 OUTLIER -102.27 -176.85 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -48.5 -45.19 36.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -61.71 -27.2 68.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.01 3.45 54.71 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.502 ' O ' HG12 ' A' ' 26' ' ' VAL . 34.3 m -62.82 169.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -108.6 107.27 17.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -85.43 -57.16 3.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.4 149.43 21.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.9 p -84.36 152.18 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -158.29 161.96 31.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.2 t -120.5 122.14 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' ' 45' ' ' LEU . 52.4 tpp -92.25 132.07 36.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HD23 ' A' ' 45' ' ' LEU . 11.9 tt0 -117.58 132.6 56.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 97' ' ' ILE . 7.8 mp -105.74 108.99 20.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 43' ' ' SER . 80.5 p -127.4 138.12 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' HG3' HD22 ' A' ' 104' ' ' LEU . 43.7 mt-30 -38.67 -26.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 41' ' ' THR . 3.1 m -73.83 -70.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -165.03 178.69 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.638 HD11 HD21 ' A' ' 101' ' ' LEU . 11.6 mt -89.13 138.78 31.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.1 129.18 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.797 HD12 ' CH2' ' A' ' 57' ' ' TRP . 13.3 mt -101.19 140.94 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.06 106.59 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -90.92 -179.72 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.458 ' CE1' ' HG2' ' A' ' 51' ' ' ARG . 4.7 t60 -62.2 -75.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HG2' ' CE1' ' A' ' 50' ' ' HIS . 4.8 mmm180 -107.04 -30.54 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 4.4 mmm180 -53.59 157.02 2.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.59 -175.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.47 124.0 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.406 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 3.5 t -96.89 151.79 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -132.57 139.54 47.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.797 ' CH2' HD12 ' A' ' 47' ' ' LEU . 22.9 m-90 -129.84 113.31 17.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.93 43.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.872 ' HA ' HD12 ' A' ' 62' ' ' LEU . 27.3 m-85 -64.14 -13.77 50.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' B' ' 16' ' ' TYR . 2.2 mt -71.64 -66.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 62' ' ' LEU . 4.3 p -55.31 -42.12 73.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.872 HD12 ' HA ' ' A' ' 59' ' ' TYR . 12.1 mt -35.68 98.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -57.33 -43.28 83.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -165.03 170.53 15.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.516 ' CE1' ' SD ' ' A' ' 105' ' ' MET . 18.8 p90 -147.99 108.75 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -107.77 -164.33 21.52 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' N ' ' SG ' ' B' ' 9' ' ' CYS . 3.1 p90 -167.45 143.83 4.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 110.948 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.412 ' CG ' ' HA ' ' B' ' 9' ' ' CYS . 6.2 m-20 -141.03 168.43 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' LEU . 47.3 t -46.91 129.08 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 69' ' ' SER . 30.2 t30 33.18 35.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.4 tm? -150.02 141.0 22.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.616 ' N ' HD13 ' A' ' 71' ' ' LEU . 60.8 t80 -145.74 129.76 17.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 t -147.48 165.87 28.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -152.95 149.2 27.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -99.07 157.4 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.0 t -151.67 151.71 31.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.2 -160.72 29.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -101.82 13.78 33.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -95.74 -13.49 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.3 p -81.56 168.3 18.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.7 -67.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.4 p -43.03 -59.07 2.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 123.12 167.53 12.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -41.35 150.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.73 157.36 9.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.522 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 87' ' ' PHE . 17.0 mt -98.8 151.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CD2' HD12 ' B' ' 1' ' ' LEU . 37.1 m-85 -128.39 115.88 18.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HB3' HD11 ' B' ' 4' ' ' LEU . . . -113.18 142.16 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -138.23 149.47 45.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.521 ' HG3' HG11 ' A' ' 26' ' ' VAL . 32.4 mttm -85.98 122.32 29.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.86 177.26 8.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.0 t -117.64 -22.29 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -109.45 48.1 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.67 -68.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' PHE . 5.3 tt0 -42.71 -55.0 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.92 -50.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.489 HG23 HD11 ' A' ' 40' ' ' LEU . 11.9 mt -68.99 -32.31 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -74.85 -21.6 59.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -92.05 -35.42 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.497 HD23 ' HG ' ' A' ' 104' ' ' LEU . 2.0 tt -77.62 -36.99 51.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.638 HD21 HD11 ' A' ' 45' ' ' LEU . 10.6 mt -52.6 -50.95 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -65.51 -24.46 67.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.83 -29.36 62.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.497 ' HG ' HD23 ' A' ' 100' ' ' LEU . 66.6 mt -88.11 -45.37 10.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 65' ' ' TYR . 27.0 mtp -51.12 -39.48 56.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.67 -26.58 66.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.0 t -58.15 -15.88 11.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.44 ' ND2' ' CE2' ' B' ' 16' ' ' TYR . 3.9 m120 -48.5 160.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 m -103.27 58.45 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.715 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -76.39 -167.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.715 ' H ' HG22 ' A' ' 110' ' ' ILE . 19.3 p30 -74.18 47.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 114' ' ' GLU . 9.8 p -78.5 11.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 112' ' ' VAL . 13.2 ptp 45.36 50.62 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.653 ' HB2' HG13 ' A' ' 112' ' ' VAL . 12.3 mt-10 -156.15 144.97 20.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' GLU . 3.5 pm0 -37.46 135.73 0.71 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.93 49.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 117' ' ' VAL . 9.8 p -127.98 115.78 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.93 151.68 31.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.7 pt -129.56 145.53 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.5 p -102.2 162.07 13.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -172.23 167.2 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -140.1 175.2 9.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.0 p -128.6 174.88 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -145.29 121.54 5.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.605 0.717 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.59 3.01 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -123.64 169.13 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -53.51 179.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.89 179.2 5.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -141.71 -177.45 5.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.7 pp -116.33 137.84 23.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.919 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -166.17 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -107.9 141.47 39.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -73.91 139.54 76.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.714 . . . . 0.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.378 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -109.95 155.59 41.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.718 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 146.52 60.54 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -169.25 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -116.02 179.78 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -122.07 -178.06 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -140.64 176.79 8.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -112.76 -138.75 7.3 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.5 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -156.5 172.35 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 14.3 t -125.28 167.67 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 145' ' ' SER . 7.6 p -53.67 152.38 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 144' ' ' VAL . 92.3 p -119.74 155.64 32.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.799 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.494 HD12 ' CD2' ' A' ' 87' ' ' PHE . 2.8 mm? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.811 0.339 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 27' ' ' ASP . 60.0 t80 -98.7 156.36 16.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 115.53 30.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 88' ' ' ALA . 12.7 mt -95.17 162.99 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -118.84 -13.25 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -131.96 168.74 17.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -116.31 110.0 43.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.11 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.3 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 67' ' ' TYR . 20.4 m -40.05 153.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.21 -68.42 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.15 87.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.94 144.7 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.49 ' OD1' ' CE2' ' A' ' 65' ' ' TYR . 27.4 p-10 -135.81 143.99 45.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -88.67 173.57 8.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' B' ' 16' ' ' TYR . . . -144.56 -87.77 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.537 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.519 ' CE1' ' CB ' ' A' ' 59' ' ' TYR . 6.1 m-85 -36.53 111.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.837 0.351 . . . . 0.0 110.961 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -109.63 139.89 44.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -147.71 119.32 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -166.71 113.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.926 0.393 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -152.48 159.89 43.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.27 136.21 3.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -162.71 178.5 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -79.88 109.21 14.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.31 85.75 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.3 mt -134.17 135.28 42.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -173.95 133.87 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.2 ttt85 -136.09 158.17 45.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -78.87 -55.03 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.2 p -93.86 155.32 17.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 13' ' ' VAL . 7.2 p -73.68 115.91 46.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.2 Cg_endo -69.75 163.3 38.78 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.636 2.224 . . . . 0.0 112.374 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.49 -2.19 31.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' HB3' ' NH2' ' A' ' 93' ' ' ARG . 11.6 p30 -130.76 35.22 4.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.551 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 2.0 t-80 -65.94 139.92 96.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.823 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 54.1 Cg_endo -69.78 -30.7 21.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.445 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 27.8 p -101.07 -25.16 14.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 2.0 mptp? -113.26 153.64 28.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 40.7 m-85 -149.96 107.39 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HG2' HG22 ' A' ' 37' ' ' VAL . 17.8 mttm -69.88 117.07 10.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.38 174.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 26' ' ' VAL . 97.3 m -141.25 105.45 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 121.07 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 24' ' ' THR . 34.2 m -122.28 178.96 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.747 ' OD1' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -110.49 -177.27 3.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -53.0 -39.13 62.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.31 -39.56 81.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.35 5.23 11.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.747 HG22 ' OD1' ' A' ' 27' ' ' ASP . 15.1 m -67.2 165.63 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.132 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -101.38 114.08 27.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -93.64 -59.52 1.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.05 145.11 15.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.4 p -90.61 147.53 23.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.86 167.41 37.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' HG2' ' A' ' 22' ' ' LYS . 26.9 t -121.61 123.61 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.9 ttm -93.51 123.61 36.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.604 ' HG2' HG23 ' A' ' 41' ' ' THR . 81.9 tt0 -109.31 131.79 54.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD11 HG23 ' A' ' 97' ' ' ILE . 10.7 mp -100.55 89.77 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.604 HG23 ' HG2' ' A' ' 39' ' ' GLU . 22.5 p -108.36 135.99 48.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -38.5 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' THR . 67.7 m -68.51 -62.88 1.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.445 ' HA ' ' CE2' ' A' ' 59' ' ' TYR . 10.1 pt-20 -174.46 179.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.582 HD11 HD21 ' A' ' 101' ' ' LEU . 12.4 mt -89.13 115.16 26.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.661 HG22 ' HG2' ' A' ' 56' ' ' ARG . 81.7 t -115.68 142.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.5 mt -105.0 155.86 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -132.01 114.16 14.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD22 ' CB ' ' A' ' 52' ' ' ARG . 6.0 mp -110.85 -176.1 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -92.01 -75.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.7 mtm-85 -100.23 26.15 6.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.611 ' CB ' HD22 ' A' ' 49' ' ' LEU . 13.0 mmp_? -126.9 160.65 30.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.88 -178.6 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.76 135.01 46.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.606 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 41.4 t -108.15 141.18 24.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.661 ' HG2' HG22 ' A' ' 46' ' ' VAL . 24.0 mtp85 -121.51 161.2 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.606 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 5.7 m-90 -152.7 113.48 2.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 121.27 7.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.271 . . . . 0.0 112.358 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 44' ' ' GLU . 47.7 m-85 -47.6 -26.39 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 1.9 tt -63.37 -45.95 88.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ARG . 5.2 p -70.84 -37.05 73.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD12 ' HD1' ' A' ' 59' ' ' TYR . 12.5 mt -45.14 92.03 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' CYS . 74.5 ttt180 -53.71 -55.84 22.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -149.7 166.43 29.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 65' ' ' TYR . 1.3 p90 -149.0 133.76 17.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.04 -168.85 12.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -160.74 151.9 18.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.87 0.367 . . . . 0.0 110.905 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -146.19 168.7 20.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.9 t -48.54 -54.75 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -132.98 35.98 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.8 OUTLIER -148.85 131.07 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.548 ' N ' HD13 ' A' ' 71' ' ' LEU . 14.6 t80 -140.21 116.29 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -134.19 168.86 18.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -155.48 145.27 21.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -98.09 154.05 18.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 81.3 p -153.6 152.66 31.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -72.76 -152.03 1.65 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.547 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.68 -24.73 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -55.06 -18.85 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.7 p -72.97 150.05 42.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 82' ' ' THR . 12.2 tt0 -42.72 -66.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.454 ' N ' ' HG2' ' A' ' 81' ' ' GLN . 53.4 p -47.45 -57.09 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 118.55 172.24 15.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -48.04 134.29 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.872 0.368 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 145.7 144.99 4.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.7 mt -95.27 150.99 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -140.14 124.78 18.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.4 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -99.87 156.69 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -148.5 130.98 15.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -82.51 119.27 24.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 9.3 t -133.65 156.74 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 t -86.81 -31.35 20.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 93' ' ' ARG . 2.7 ptp180 -118.01 52.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.38 -57.57 10.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' O ' ' ND2' ' A' ' 99' ' ' ASN . 22.0 tt0 -42.65 -53.99 4.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -41.36 -54.07 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.505 HG23 HD11 ' A' ' 40' ' ' LEU . 10.3 mt -60.54 -33.96 56.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.492 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -74.52 -19.84 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.474 ' ND2' ' N ' ' A' ' 99' ' ' ASN . 1.1 m120 -85.69 -30.39 23.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.687 ' O ' HD23 ' A' ' 100' ' ' LEU . 2.5 tt -90.83 -34.44 15.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 45' ' ' LEU . 12.1 mt -53.76 -56.79 14.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -53.16 -33.05 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.58 -25.82 62.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.425 HD11 HD22 ' A' ' 100' ' ' LEU . 86.1 mt -87.73 -44.34 11.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 29.7 mmm -54.82 -42.05 71.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.51 -35.78 63.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' ASN . 17.7 t -49.21 -58.49 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' CYS . 13.9 t30 -35.52 128.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 73.2 m -41.95 114.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.8 mm -101.86 107.76 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.4 m120 38.6 42.26 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.4 t -88.48 -57.29 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 49.6 mtt -57.59 177.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -104.46 121.05 42.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -109.52 142.73 26.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.6 68.79 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.623 2.215 . . . . 0.0 112.37 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 18.1 t -89.35 79.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 tp -54.62 141.52 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.725 ' O ' HD12 ' A' ' 119' ' ' ILE . 2.7 pp -64.0 135.19 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.9 t -126.8 154.78 43.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.094 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -104.92 115.86 31.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -123.05 156.48 34.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.1 m -128.95 43.23 3.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -152.28 143.77 16.08 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.56 0.695 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.64 48.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.389 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.71 165.07 3.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -128.33 149.01 50.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.709 ' H ' HD23 ' A' ' 128' ' ' LEU . 2.6 pt? -121.33 152.27 39.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.2 154.74 31.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.3 pp -114.05 141.92 27.08 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.721 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 136.92 34.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.242 . . . . 0.0 112.334 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -117.11 144.4 44.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -144.19 149.37 44.85 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.602 0.715 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 157.83 59.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -119.18 118.67 32.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 150.72 68.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.37 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -172.77 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.724 2.283 . . . . 0.0 112.338 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -143.09 116.96 9.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -152.45 178.65 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 15.6 tp -153.23 138.83 17.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -123.37 158.47 17.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.429 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 143' ' ' THR . 82.0 t80 -151.1 165.87 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.958 0.409 . . . . 0.0 110.928 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 142' ' ' TYR . 15.0 t -152.64 162.12 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.9 p -150.28 141.55 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.6 t -158.06 135.13 10.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.782 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 38.4 t80 -66.5 137.32 56.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 134.45 40.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 88' ' ' ALA . 16.2 mt -103.48 163.08 12.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -93.56 -43.99 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -134.05 175.37 9.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.09 119.48 69.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -50.58 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 72.4 m -56.01 141.28 40.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.414 ' O ' HG13 ' B' ' 12' ' ' VAL . . . -100.73 -62.72 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -72.8 83.48 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.414 HG13 ' O ' ' B' ' 10' ' ' GLY . 1.5 m -96.15 162.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.443 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 48.7 t-20 -122.35 90.61 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -51.48 116.28 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.83 -88.98 2.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.441 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 49.0 m-85 -71.48 83.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -139.08 135.77 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -91.11 124.09 35.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -141.11 137.07 32.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -156.25 174.5 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.54 -174.48 41.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -144.6 132.12 20.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 p -161.42 171.52 18.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 -107.29 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -103.24 165.93 10.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.79 103.01 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.67 47.33 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -168.16 169.72 10.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -88.21 34.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 13' ' ' VAL . 6.6 p -140.44 118.94 8.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 147.14 62.18 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.16 17.98 4.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -127.87 8.53 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' LYS . 2.9 t-80 -48.95 133.31 14.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.6 Cg_endo -69.77 -39.45 6.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.1 p -84.36 -38.99 19.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' HIS . 1.7 mppt? -97.85 155.72 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 98.1 m-85 -153.58 105.65 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -61.07 122.39 14.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.09 -179.24 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.138 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 26' ' ' VAL . 89.6 m -150.85 106.99 3.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.168 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -59.82 126.75 28.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.701 HG11 ' HD2' ' A' ' 90' ' ' LYS . 19.7 m -129.36 168.68 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.588 ' OD1' HG23 ' A' ' 31' ' ' VAL . 1.9 p-10 -97.51 -174.1 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.24 -54.36 37.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 132.36 6.77 2.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.588 HG23 ' OD1' ' A' ' 27' ' ' ASP . 1.5 t -66.5 151.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.72 113.28 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' B' ' 2' ' ' PHE . 12.1 mt -88.45 -64.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -135.42 149.31 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.8 p -97.31 143.16 28.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.27 170.65 36.35 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 64.8 t -125.16 124.78 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.596 ' CG ' HD22 ' A' ' 45' ' ' LEU . 28.7 tpp -91.58 129.91 37.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.518 ' HG2' HG23 ' A' ' 41' ' ' THR . 54.2 tt0 -114.29 132.3 56.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 97' ' ' ILE . 9.8 mp -97.29 90.73 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.518 HG23 ' HG2' ' A' ' 39' ' ' GLU . 21.8 p -110.77 135.99 50.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -38.26 -27.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 41' ' ' THR . 17.6 p -70.1 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -174.55 -178.72 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 ' CG ' ' A' ' 38' ' ' MET . 12.9 mt -89.87 108.77 19.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.94 146.9 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 33.5 mt -109.17 150.7 27.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -121.96 130.13 53.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 53' ' ' GLU . 5.6 mp -127.54 179.91 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -107.34 111.33 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 61.01 26.03 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.7 mmt-85 -133.01 153.55 51.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.453 ' O ' HD13 ' A' ' 49' ' ' LEU . 3.2 mp0 -56.46 163.39 1.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.7 160.9 15.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.796 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 37.5 t -126.31 154.36 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.8 mpt_? -139.99 161.72 36.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.796 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 15.2 m-90 -154.66 117.73 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.582 0.706 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.5 Cg_endo -69.76 124.05 10.7 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.531 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.1 m-85 -43.45 -22.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.1 tp -67.85 -58.17 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.2 p -50.5 -36.6 34.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 59' ' ' TYR . 77.7 mt -59.82 92.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -78.12 -42.13 32.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.908 ' HG3' HG21 ' B' ' 12' ' ' VAL . 52.0 ttp180 -129.54 137.64 50.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.49 ' C ' HG23 ' B' ' 12' ' ' VAL . 16.9 p90 -145.3 112.52 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.97 -163.41 13.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -166.47 159.46 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -145.87 177.47 8.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 m -46.61 -63.35 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -129.9 42.18 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' ' 72' ' ' PHE . 1.2 tm? -150.35 128.45 11.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.541 ' N ' HD13 ' A' ' 71' ' ' LEU . 13.7 t80 -131.47 110.34 10.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.3 t -126.22 157.33 38.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -151.0 145.18 25.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 76' ' ' SER . 14.2 tt0 -101.9 153.73 19.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.416 ' O ' ' OE1' ' A' ' 84' ' ' GLN . 2.7 p -150.88 127.07 10.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.76 179.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 9.1 ptt180 -81.44 36.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 110.846 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -108.93 -34.04 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 10.0 p -59.68 145.96 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -40.43 -56.57 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.6 p -55.78 -40.41 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.47 175.77 19.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.478 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 4.6 tp60 -65.53 118.26 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 175.17 152.21 9.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.44 HG22 HD12 ' B' ' 4' ' ' LEU . 92.7 mt -93.69 126.88 46.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.106 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.65 114.75 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.421 ' CB ' HD11 ' B' ' 4' ' ' LEU . . . -101.11 132.08 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -126.97 139.66 52.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.701 ' HD2' HG11 ' A' ' 26' ' ' VAL . 38.0 mttp -85.21 131.8 34.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.9 p -147.37 -176.62 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 m -120.3 -22.16 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' ALA . 21.3 mtm180 -111.56 27.23 9.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' ARG . . . -35.0 -43.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' PHE . 11.7 tt0 -60.97 -55.66 30.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -39.48 -57.27 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 40' ' ' LEU . 10.5 mt -61.34 -32.93 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -70.76 -33.45 70.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -79.19 -29.78 43.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 104' ' ' LEU . 1.8 tt -82.61 -40.72 20.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.499 HD21 HD11 ' A' ' 45' ' ' LEU . 14.4 mt -53.58 -54.87 31.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -57.48 -26.7 61.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.59 -39.41 58.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 100' ' ' LEU . 61.8 mt -75.78 -33.99 60.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 6.4 mmm -61.75 -36.65 81.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -79.86 -9.2 59.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.4 t -77.8 -37.08 49.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.651 ' O ' HD12 ' A' ' 110' ' ' ILE . 78.1 m-20 -66.96 176.19 2.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.6 m -84.89 112.29 20.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 108' ' ' ASN . 4.6 mp -106.03 -66.58 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 112' ' ' VAL . 1.9 m120 -37.03 -47.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 113' ' ' MET . 30.6 m -35.64 -47.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.569 ' N ' HG23 ' A' ' 112' ' ' VAL . 10.0 mtt -43.23 164.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 57.2 50.34 11.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -49.47 154.68 1.51 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.634 0.73 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -174.95 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.478 ' O ' HD13 ' A' ' 118' ' ' ILE . 7.3 p -44.53 122.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.777 HG22 ' H ' ' A' ' 120' ' ' THR . 7.0 mm -118.15 142.87 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.0 pt -38.22 -37.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.777 ' H ' HG22 ' A' ' 118' ' ' ILE . 28.6 m -66.65 160.02 26.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.509 ' N ' HG22 ' A' ' 120' ' ' THR . 32.7 ptt180 -66.75 139.9 57.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -168.57 147.5 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -81.74 152.0 27.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -125.33 121.05 24.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.618 0.723 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 174.12 9.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.355 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.9 48.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.23 128.01 34.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -174.47 156.75 2.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -170.63 131.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 130' ' ' LEU . 0.8 OUTLIER -110.65 156.12 41.07 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.583 0.706 . . . . 0.0 110.926 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -176.11 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.236 . . . . 0.0 112.371 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -168.46 137.8 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -148.95 137.08 11.54 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.602 0.715 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -174.92 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -141.09 120.78 8.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.601 0.715 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 129.42 17.52 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.335 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -173.66 0.76 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -77.63 176.4 9.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.52 ' C ' HD12 ' A' ' 140' ' ' LEU . . . -109.42 -70.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 139' ' ' ALA . 5.6 mp -149.43 174.51 12.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -128.74 -128.59 3.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.536 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -167.44 165.84 14.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.419 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 37.7 m -158.71 120.09 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 24.5 m -111.56 178.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.3 t -143.5 159.34 42.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.835 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 27.4 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.849 0.357 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 26.1 t80 -106.99 134.18 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -96.24 124.01 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.44 HD12 HG22 ' A' ' 86' ' ' ILE . 29.5 mt -95.16 164.65 12.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 mtm180 -99.22 -39.56 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -129.47 164.79 22.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.431 ' CD1' ' HD2' ' B' ' 8' ' ' PRO . 2.7 t80 -86.36 121.92 72.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.64 0.734 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 53.5 Cg_endo -69.79 -50.66 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 59.0 m -63.83 151.0 43.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.32 -73.81 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.46 99.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.908 HG21 ' HG3' ' A' ' 64' ' ' ARG . 7.1 p -119.62 146.17 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.421 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 18.8 p-10 -114.32 78.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -38.3 129.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.37 -96.37 2.02 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 3.7 m-85 -51.16 162.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -38.62 136.08 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.42 ' CD ' ' N ' ' B' ' 18' ' ' GLN . 0.8 OUTLIER -116.38 107.86 15.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -172.78 167.99 5.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -171.6 153.44 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.2 112.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -167.5 108.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -163.79 159.61 21.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.24 138.9 18.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.13 -51.16 68.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -171.8 122.36 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 69.3 mtp180 -120.84 79.81 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' ARG . 20.4 m-20 -167.72 167.1 13.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.5 p -54.72 133.46 47.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 13' ' ' VAL . 12.6 p -48.22 114.53 3.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.563 0.696 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.9 Cg_endo -69.75 157.14 61.45 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 13.5 m-20 -71.1 -1.13 11.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -134.46 40.42 2.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 1.6 t-80 -70.82 141.15 86.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 p -94.92 -27.9 15.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -115.45 147.18 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -147.49 108.71 4.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -68.81 127.0 31.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.7 m -125.13 174.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 26' ' ' VAL . 72.3 m -137.55 107.53 6.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' ND2' HD12 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -56.06 119.22 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 24' ' ' THR . 34.9 m -123.05 179.72 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.705 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.7 p-10 -113.27 -175.18 2.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -52.9 -42.82 65.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.81 -40.51 95.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.1 12.2 7.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.705 HG22 ' OD1' ' A' ' 27' ' ' ASP . 20.9 m -73.73 167.41 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.33 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -100.55 113.47 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.411 HD12 ' ND2' ' A' ' 25' ' ' ASN . 11.8 mt -96.18 -63.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.57 149.43 19.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.9 p -96.83 142.42 28.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.903 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.599 ' HA3' HD23 ' A' ' 49' ' ' LEU . . . -159.37 169.96 35.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.7 t -120.34 121.02 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.587 ' SD ' HD22 ' A' ' 45' ' ' LEU . 34.7 tpp -85.33 130.04 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.812 ' HG2' HG23 ' A' ' 41' ' ' THR . 29.6 tt0 -114.57 131.09 56.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.586 HD11 HG23 ' A' ' 97' ' ' ILE . 8.3 mp -102.68 76.12 1.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.812 HG23 ' HG2' ' A' ' 39' ' ' GLU . 36.8 p -94.43 130.99 40.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 41' ' ' THR . 36.7 mt-30 -35.84 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 41' ' ' THR . 5.8 t -65.19 -61.43 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -172.53 -179.5 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.741 HD12 HD11 ' A' ' 62' ' ' LEU . 9.2 mt -92.48 123.86 36.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 t -123.84 142.48 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.536 HD12 ' CH2' ' A' ' 57' ' ' TRP . 11.7 mt -108.27 119.64 40.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.31 103.27 15.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.599 HD23 ' HA3' ' A' ' 36' ' ' GLY . 7.2 mt -98.49 180.0 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.413 ' O ' ' N ' ' A' ' 52' ' ' ARG . 13.1 t-80 -104.89 117.62 34.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' HIS . 14.5 mmt180 36.87 33.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' HG2' HD13 ' A' ' 49' ' ' LEU . 5.9 tpt180 -114.4 -75.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' O ' HD12 ' A' ' 49' ' ' LEU . 4.0 mt-10 -172.06 -177.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.2 124.93 9.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.672 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 62.9 t -115.67 162.83 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.591 ' N ' HG12 ' A' ' 55' ' ' VAL . 9.1 mtt85 -141.46 135.63 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.672 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 18.3 m-90 -129.89 112.69 17.42 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.546 0.688 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.77 121.52 8.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.415 ' HA ' HD12 ' A' ' 62' ' ' LEU . 29.7 m-85 -38.39 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD13 ' HG2' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -63.04 -60.06 3.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.4 p -58.9 -36.09 74.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.741 HD11 HD12 ' A' ' 45' ' ' LEU . 11.3 mt -48.13 97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -54.11 -54.93 32.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -153.04 172.03 17.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.496 ' CE1' ' O ' ' B' ' 13' ' ' ASN . 3.6 p90 -149.15 131.6 15.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.41 -169.34 14.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -166.26 146.46 6.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -144.67 171.75 13.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.0 p -46.64 -55.91 6.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -133.55 42.62 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -151.83 130.48 12.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.566 ' N ' HD13 ' A' ' 71' ' ' LEU . 31.9 t80 -140.6 108.98 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -129.49 167.79 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 74' ' ' PHE . 9.4 p90 -151.67 142.73 23.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -97.28 148.5 23.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.3 m -146.01 153.24 40.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.38 -148.47 1.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.458 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -105.85 -37.13 6.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.806 0.336 . . . . 0.0 110.847 -179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' NH2' ' CD ' ' A' ' 115' ' ' GLU . 10.7 ptm180 -45.1 -25.35 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 p -66.27 160.29 24.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -52.75 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.8 p -51.11 -33.03 24.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.05 179.1 44.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.481 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.458 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 11.0 pt20 -44.26 141.69 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.55 149.86 5.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.0 mt -105.01 136.8 37.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 0.0 111.15 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -121.61 123.91 43.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -100.74 165.03 11.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -155.78 120.78 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HG3' HG11 ' A' ' 26' ' ' VAL . 67.8 mttt -67.83 118.66 11.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.8 t -140.9 166.67 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.4 m -108.77 -32.86 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.462 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -98.1 38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.18 -54.5 13.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -49.06 -55.31 12.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -41.87 -54.9 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.586 HG23 HD11 ' A' ' 40' ' ' LEU . 14.5 mt -62.36 -31.46 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -34.94 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -72.59 -28.04 62.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.91 -43.78 12.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.607 HD21 HD11 ' A' ' 45' ' ' LEU . 10.1 mt -45.51 -52.99 9.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -59.92 -37.89 80.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.77 -25.3 66.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.9 mt -92.58 -30.49 15.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 9.4 mmm -68.56 -55.15 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -48.07 -30.47 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.1 t -45.06 -46.02 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 109' ' ' SER . 13.2 t-20 73.34 50.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 108' ' ' ASN . 92.9 p -33.68 121.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.537 HG23 HD11 ' A' ' 119' ' ' ILE . 5.3 mp -102.48 105.46 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 39.59 45.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.751 ' O ' HG12 ' A' ' 112' ' ' VAL . 49.8 t -95.46 68.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.43 ' O ' ' CD ' ' A' ' 114' ' ' GLU . 4.4 mtm 64.75 47.96 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.43 ' CD ' ' O ' ' A' ' 113' ' ' MET . 3.8 mp0 -159.94 175.85 12.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.475 ' CD ' ' NH2' ' A' ' 79' ' ' ARG . 2.6 pt-20 -48.04 152.31 1.47 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.19 56.19 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.706 2.271 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.411 HG21 HD21 ' A' ' 60' ' ' LEU . 87.3 t -141.93 109.17 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.666 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.9 mp -64.06 116.44 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.537 HD11 HG23 ' A' ' 110' ' ' ILE . 50.3 mt -78.54 -48.0 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 120' ' ' THR . 7.3 t 27.4 46.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 119' ' ' ILE . 4.0 ptm180 -171.73 146.09 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -164.11 167.8 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.4 m -160.11 175.14 13.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -154.99 114.07 2.35 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.582 0.706 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -175.83 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -173.35 157.82 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -155.67 173.09 17.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 pp -156.93 174.44 15.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -162.04 167.44 24.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.1 pp -125.25 134.3 25.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -175.18 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -155.08 139.62 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -139.14 131.41 15.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -168.41 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -143.65 122.17 7.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.699 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 142.25 47.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -171.22 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -174.57 157.38 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -173.65 159.34 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 141' ' ' GLY . 1.3 tt -174.76 161.41 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.727 ' N ' HD23 ' A' ' 140' ' ' LEU . . . -164.75 175.82 40.66 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -162.8 178.22 8.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.951 0.405 . . . . 0.0 110.911 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 3.4 m -124.33 122.26 37.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.0 m -116.46 175.05 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.9 t -91.79 -179.01 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.838 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.824 0.345 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 34.1 t80 -102.14 126.86 49.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.02 134.51 36.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 88' ' ' ALA . 22.5 mt -105.21 166.59 10.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -97.15 -42.9 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -132.87 -179.9 5.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.22 120.86 63.42 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.74 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -49.56 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 65.2 m -60.85 145.68 49.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.19 -63.38 0.84 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -74.66 89.61 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 m -98.27 151.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CE1' ' A' ' 65' ' ' TYR . 62.9 t-20 -108.21 92.26 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -55.4 133.54 49.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -131.38 -106.16 1.07 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 60' ' ' LEU . 47.4 m-85 -60.56 109.89 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 110.935 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -87.14 -16.94 33.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.49 128.55 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -87.33 -46.77 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.805 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.7 m -77.62 161.68 27.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.78 -156.27 6.81 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -143.03 152.81 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -103.77 131.78 50.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.0 109.41 2.05 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mp -95.03 114.62 26.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.343 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -117.48 -58.18 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -59.35 134.3 56.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -115.31 -60.73 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 p -129.31 13.42 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.9 t -152.31 105.45 2.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.72 60.85 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.309 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -76.64 4.59 9.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -123.37 18.18 9.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.414 ' CE1' ' HG1' ' A' ' 19' ' ' THR . 4.3 t-80 -58.94 134.1 87.18 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.553 0.692 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.22 36.53 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.274 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.414 ' HG1' ' CE1' ' A' ' 17' ' ' HIS . 21.9 p -113.34 -17.8 12.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -120.91 130.99 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -132.88 108.27 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -64.25 106.59 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.8 m -105.72 177.84 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.486 ' O ' HG13 ' A' ' 26' ' ' VAL . 51.9 m -147.07 108.44 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -54.87 130.57 41.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 24' ' ' THR . 28.5 m -130.72 174.11 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.782 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.8 p-10 -109.82 -175.55 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.21 -51.87 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.78 -35.36 74.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.88 0.14 24.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.782 HG22 ' OD1' ' A' ' 27' ' ' ASP . 12.6 m -57.9 164.82 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.318 . . . . 0.0 111.171 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -97.73 105.14 17.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 27' ' ' ASP . 25.7 mt -86.42 -56.65 3.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -149.28 143.38 10.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.96 154.83 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.931 0.396 . . . . 0.0 110.859 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.72 171.1 36.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.448 ' O ' HD22 ' A' ' 47' ' ' LEU . 33.2 t -119.51 126.38 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 111.176 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 40.2 ttm -109.89 125.19 52.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -114.54 136.29 53.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.909 HD11 HG23 ' A' ' 97' ' ' ILE . 7.1 mp -101.6 97.66 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 42' ' ' GLN . 41.2 p -118.37 131.71 56.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 41' ' ' THR . 94.6 mt-30 -32.45 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' THR . 8.7 t -61.34 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.95 -177.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD11 HD21 ' A' ' 101' ' ' LEU . 10.1 mt -88.97 121.89 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.5 t -104.62 121.98 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 37' ' ' VAL . 0.8 OUTLIER -111.77 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -109.56 138.77 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -134.15 -176.38 4.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.432 ' ND1' ' HG2' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -112.37 -11.84 13.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.432 ' HG2' ' ND1' ' A' ' 50' ' ' HIS . 27.8 mmm180 -118.74 -32.28 4.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.589 ' HB3' HD22 ' A' ' 49' ' ' LEU . 19.5 tpp180 -106.98 158.61 16.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 52' ' ' ARG . 38.8 mm-40 -78.97 149.83 32.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -39.48 113.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.8 t -98.69 124.41 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.7 151.95 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.705 ' HH2' HD11 ' B' ' 1' ' ' LEU . 2.3 m-90 -138.76 124.09 12.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.582 0.706 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.409 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 54.4 Cg_endo -69.77 140.88 43.71 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.343 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.895 ' HA ' HD12 ' A' ' 62' ' ' LEU . 11.4 m-85 -74.19 -30.4 62.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.708 HD13 ' CD2' ' B' ' 16' ' ' TYR . 1.0 OUTLIER -73.58 -77.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.455 ' N ' ' HG ' ' A' ' 60' ' ' LEU . 1.3 m -34.76 -37.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.895 HD12 ' HA ' ' A' ' 59' ' ' TYR . 6.0 mt -33.73 132.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -90.56 -63.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.989 ' HG3' HG21 ' B' ' 12' ' ' VAL . 14.0 ttp-105 -136.23 149.95 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.619 ' C ' HG23 ' B' ' 12' ' ' VAL . 54.6 p90 -151.91 108.31 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.05 -168.1 17.98 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.403 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.3 p90 -156.2 162.62 40.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 110.944 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.8 m-20 -154.3 169.23 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' ASP . 15.3 t -35.04 -71.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -123.36 29.0 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.723 HD13 ' N ' ' A' ' 72' ' ' PHE . 2.4 tm? -137.85 132.16 32.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.723 ' N ' HD13 ' A' ' 71' ' ' LEU . 54.7 t80 -142.56 107.07 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.2 t -116.29 166.22 12.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.9 p90 -160.02 140.6 11.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -101.6 156.48 17.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.4 p -140.67 149.13 41.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 83' ' ' GLY . . . -62.76 -151.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -111.99 -32.3 6.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -64.89 -14.34 59.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.1 m -66.43 -175.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.07 -61.13 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 p -72.2 -34.32 68.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . 94.36 -162.01 24.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -58.9 155.12 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 125.03 140.67 5.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 98.3 mt -99.01 136.62 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' B' ' 1' ' ' LEU . 17.9 m-85 -123.82 122.6 38.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.75 129.79 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -120.45 138.92 53.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -97.57 116.18 29.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.1 148.39 48.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 t -80.54 -28.56 37.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -112.53 47.85 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLU . . . -56.86 -57.21 13.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 98' ' ' PHE . 19.0 tt0 -37.81 -60.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -39.78 -53.71 2.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.909 HG23 HD11 ' A' ' 40' ' ' LEU . 12.3 mt -62.48 -31.16 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -78.67 -25.13 44.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -89.14 -18.29 27.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.3 tp -95.34 -30.56 13.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 45' ' ' LEU . 10.5 mt -54.01 -62.83 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -53.66 -29.75 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.9 -36.03 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.3 mt -85.22 -36.93 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.412 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 65.1 mtp -63.22 -47.99 80.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -55.5 -29.74 59.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.01 -28.12 68.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.528 ' O ' HD12 ' A' ' 110' ' ' ILE . 76.1 m-20 56.71 39.45 29.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -40.67 112.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 110' ' ' ILE . 5.3 mp -96.52 64.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER 35.49 54.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 31.3 m -81.2 16.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 50.8 mtt -142.95 159.15 42.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -82.32 119.19 23.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -104.03 150.13 37.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 142.94 49.29 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 79.9 t -103.28 138.64 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 120' ' ' THR . 26.0 mm -79.74 146.85 7.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.6 pt -83.04 8.9 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.645 ' H ' HG22 ' A' ' 118' ' ' ILE . 2.6 t -152.5 137.79 17.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -137.93 137.45 38.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -115.87 167.57 10.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 53.4 p -107.89 170.56 7.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -119.43 83.98 28.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.79 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -152.36 171.29 18.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.09 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -91.38 121.32 33.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 128' ' ' LEU . 4.2 pp -78.54 139.52 38.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -146.41 166.54 26.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 130' ' ' LEU . 4.3 pp -106.23 139.33 20.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 166.21 28.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.662 2.242 . . . . 0.0 112.354 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' C ' ' HD2' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -83.72 -176.63 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -112.99 144.36 30.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.53 0.681 . . . . 0.0 111.137 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 170.54 16.39 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -69.47 143.0 92.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.7 57.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.748 2.298 . . . . 0.0 112.34 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -171.75 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -112.66 178.35 4.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -136.18 174.32 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 13.7 tp -155.49 151.17 27.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -109.59 -158.61 17.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -146.21 167.78 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 8.9 t -133.56 156.55 47.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.175 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.1 p -87.08 149.72 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.2 p -108.64 171.95 7.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.832 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.705 HD11 ' HH2' ' A' ' 57' ' ' TRP . 3.8 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.832 0.348 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 27' ' ' ASP . 15.8 t80 -48.42 122.13 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -83.81 126.9 33.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 mt -93.8 172.85 7.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -105.64 -39.75 5.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -140.17 154.99 47.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.38 125.28 91.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.727 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.2 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 4.4 t -66.5 153.89 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.1 -42.16 1.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -92.35 100.28 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.989 HG21 ' HG3' ' A' ' 64' ' ' ARG . 6.6 p -116.24 138.11 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' B' ' 14' ' ' TYR . 8.4 t30 -104.64 70.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' B' ' 13' ' ' ASN . 54.0 m-85 -35.45 138.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -105.8 -81.48 1.45 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.708 ' CD2' HD13 ' A' ' 60' ' ' LEU . 17.2 m-85 -68.57 116.4 9.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -168.28 152.21 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -52.63 126.99 21.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -158.5 159.31 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -169.33 151.65 4.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.857 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.68 158.49 8.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 p -162.41 123.21 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -167.89 166.86 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.4 101.66 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -166.26 144.69 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -131.18 131.84 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -127.5 168.34 15.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -109.13 -64.01 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.8 p -71.31 148.68 46.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 13' ' ' VAL . 13.6 p -73.59 116.76 54.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 0.0 111.134 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 154.28 67.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.661 2.241 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.65 10.24 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -132.05 20.25 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.506 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 2.2 t-80 -62.83 140.69 97.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.589 ' O ' ' CE2' ' A' ' 21' ' ' PHE . 53.8 Cg_endo -69.74 -43.04 2.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.6 p -87.2 -23.93 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -115.8 135.38 54.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 18' ' ' PRO . 85.7 m-85 -136.22 109.62 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -67.88 119.53 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -119.8 164.82 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 26' ' ' VAL . 21.4 m -131.65 109.9 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -57.16 108.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 31' ' ' VAL . 27.6 m -115.1 -178.91 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.701 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.4 p-10 -113.3 -174.91 2.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.87 -39.41 65.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.51 -39.59 85.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.81 15.64 7.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.701 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.1 m -75.92 164.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 111.13 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -96.43 110.13 22.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.77 -58.16 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -146.37 138.98 7.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.9 p -84.74 138.85 32.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -151.64 165.65 30.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.521 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.0 t -120.08 122.13 67.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 42.4 tpp -89.08 133.69 34.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.648 ' HG2' HG23 ' A' ' 41' ' ' THR . 19.0 tt0 -124.27 131.09 53.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.45 88.53 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 39' ' ' GLU . 13.9 p -107.07 133.29 51.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' C ' ' O ' ' A' ' 41' ' ' THR . 38.8 mt-30 -32.98 -40.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -58.65 -62.85 1.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -174.96 -179.42 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 62' ' ' LEU . 13.0 mt -87.62 120.25 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.01 138.96 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.631 HD12 ' CZ3' ' A' ' 57' ' ' TRP . 13.5 mt -110.77 128.53 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -106.06 125.18 50.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 53' ' ' GLU . 5.6 mp -129.08 171.67 12.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -105.25 -60.12 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -73.75 -50.98 18.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -82.86 -178.08 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.613 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.1 pm0 -91.82 -177.63 4.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.78 137.02 41.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.71 HG11 ' CZ2' ' A' ' 57' ' ' TRP . 48.7 t -116.48 160.38 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' N ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -135.52 157.83 45.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.71 ' CZ2' HG11 ' A' ' 55' ' ' VAL . 29.6 m-90 -148.95 111.83 3.57 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 127.97 15.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.635 ' HA ' HD12 ' A' ' 62' ' ' LEU . 22.1 m-85 -43.13 -31.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 0.2 OUTLIER -58.82 -59.52 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.9 m -56.67 -40.59 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 59' ' ' TYR . 14.6 mt -44.27 105.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -70.88 -52.58 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.64 ' O ' HG23 ' B' ' 12' ' ' VAL . 7.3 p90 -136.89 120.52 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.45 161.31 15.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HB3' ' CB ' ' A' ' 98' ' ' PHE . 5.3 p90 -124.98 168.63 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -169.57 -176.07 2.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LEU . 48.2 t -70.8 123.47 22.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 39.19 25.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' SER . 0.4 OUTLIER -136.68 127.81 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -136.83 116.6 13.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.5 t -140.68 158.19 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -145.39 146.75 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -107.36 135.69 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 m -138.03 137.99 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -68.68 160.74 51.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HA ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -47.91 -26.33 1.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.916 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -50.12 -21.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 26.7 p -74.06 165.72 24.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.31 -69.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 82.8 p -46.3 -40.78 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 111.05 176.84 20.48 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.468 ' N ' ' HA ' ' A' ' 78' ' ' ARG . 8.5 tt0 -51.83 137.95 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.884 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.31 143.2 4.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 70.3 mt -94.64 141.44 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' HB2' ' B' ' 1' ' ' LEU . 8.7 m-85 -126.07 124.61 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.451 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -105.85 158.59 16.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 88' ' ' ALA . 11.4 m-85 -153.36 136.92 15.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -84.23 119.24 24.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.2 t -133.74 172.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.5 t -97.11 -40.44 8.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mtt-85 -109.41 58.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.25 -57.25 13.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 98' ' ' PHE . 15.4 tt0 -49.08 -55.69 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.38 -47.7 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 20.0 mt -63.34 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -75.1 -19.75 59.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -90.3 -22.98 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.572 ' O ' HD23 ' A' ' 100' ' ' LEU . 3.3 tt -91.4 -36.57 13.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.28 -54.07 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.1 -33.78 65.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -24.86 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.5 mt -94.16 -26.22 16.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.543 ' SD ' ' CE1' ' B' ' 16' ' ' TYR . 12.6 mmm -77.77 -51.92 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -47.55 -29.19 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 37.9 t -45.96 -29.23 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 109' ' ' SER . 32.1 m-20 57.79 45.17 19.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 108' ' ' ASN . 3.1 m -34.3 108.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.81 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 60.3 mt -94.9 -73.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -114.75 57.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.5 t -123.83 -44.2 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.7 mmt -57.09 -175.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 115' ' ' GLU . 15.2 pt-20 -103.73 174.08 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 114' ' ' GLU . 7.7 pt-20 -35.41 148.12 0.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.631 0.729 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.56 59.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.51 136.05 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.5 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.4 mp -101.88 124.94 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.8 mt -113.52 141.31 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 11.2 t -47.9 157.93 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -60.83 154.41 22.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -119.09 170.98 8.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.475 ' O ' ' CD2' ' A' ' 124' ' ' HIS . 78.7 p -97.03 175.46 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 123' ' ' SER . 71.3 m-70 -158.69 139.67 9.4 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.529 0.681 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.6 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.22 152.1 36.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -77.77 150.22 34.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 128' ' ' LEU . 0.4 OUTLIER -103.26 118.05 35.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -60.74 168.47 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.0 pp -112.43 148.34 38.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.711 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 159.9 51.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.31 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 133' ' ' ALA . 0.1 OUTLIER -95.23 -179.77 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 132' ' ' ARG . . . -126.54 153.13 75.24 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.076 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -176.15 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -131.62 152.17 79.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.539 0.685 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 146.2 59.59 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.653 2.236 . . . . 0.0 112.39 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -179.58 3.0 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.749 2.299 . . . . 0.0 112.324 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.44 178.14 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.57 178.59 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.1 tp -136.86 153.93 50.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -109.26 -151.23 14.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -148.26 137.23 21.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.97 0.414 . . . . 0.0 110.933 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 44.0 p -102.12 137.9 39.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.0 p -109.32 131.35 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 66.2 m -51.01 157.46 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 -179.78 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.51 ' HB2' ' CD1' ' A' ' 87' ' ' PHE . 7.2 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 3' ' ' ARG . 41.6 t80 -77.88 134.4 37.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.566 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -89.78 147.22 23.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.427 HD11 ' HB2' ' A' ' 88' ' ' ALA . 12.5 mt -117.83 153.07 34.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -84.63 -49.6 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -125.52 160.45 29.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' B' ' 9' ' ' CYS . 5.7 t80 -85.04 118.38 70.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.651 0.739 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' B' ' 7' ' ' PHE . 54.2 Cg_endo -69.73 -45.82 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.513 ' HB2' ' CE2' ' B' ' 7' ' ' PHE . 33.3 m -65.53 95.76 0.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -61.51 5.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.35 101.56 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 65' ' ' TYR . 7.2 p -121.18 141.29 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' B' ' 13' ' ' ASN . 5.5 t30 -101.59 82.88 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -44.92 127.71 6.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.19 -172.27 13.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.543 ' CE1' ' SD ' ' A' ' 105' ' ' MET . 4.1 m-85 43.67 41.39 3.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -105.88 156.22 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' B' ' 19' ' ' GLN . 61.7 tt0 -142.2 134.78 28.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' B' ' 18' ' ' GLN . 24.1 pt20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -164.74 128.05 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 t -152.26 147.89 26.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.4 105.39 0.47 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -117.86 102.71 9.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -163.28 169.85 18.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.15 137.82 2.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.2 mp -81.53 175.47 10.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.805 0.336 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -96.52 152.56 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -128.11 147.66 50.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -68.69 -52.84 26.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -128.82 156.02 44.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 13' ' ' VAL . 2.4 p -72.22 115.48 39.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 17' ' ' HIS . 53.8 Cg_endo -69.75 160.67 48.85 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.493 ' O ' ' CZ ' ' A' ' 93' ' ' ARG . 9.1 p30 -74.74 0.24 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.7 p30 -130.58 32.11 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.543 ' CD2' ' HD2' ' A' ' 14' ' ' PRO . 1.5 t-80 -64.6 139.01 97.63 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 17' ' ' HIS . 53.7 Cg_endo -69.77 -26.05 27.94 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 p -104.12 -29.35 10.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -114.89 152.11 32.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 20' ' ' LYS . 27.9 m-85 -145.61 106.11 4.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -65.01 113.42 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.1 m -114.44 167.63 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 26' ' ' VAL . 55.4 m -134.78 99.1 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' ND2' HD12 ' A' ' 33' ' ' LEU . 2.9 t30 -52.3 126.6 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.668 HG11 ' HD2' ' A' ' 90' ' ' LYS . 33.5 m -127.11 -178.24 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.651 ' OD1' HG22 ' A' ' 31' ' ' VAL . 1.3 p-10 -112.44 -174.94 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -51.17 -48.16 61.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -61.78 -40.03 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.73 17.25 6.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.651 HG22 ' OD1' ' A' ' 27' ' ' ASP . 13.5 m -76.83 161.82 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.748 0.309 . . . . 0.0 111.164 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -97.34 113.79 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD12 ' ND2' ' A' ' 25' ' ' ASN . 21.7 mt -95.91 -61.43 1.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -138.11 142.86 13.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.8 p -90.93 138.63 31.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -149.96 166.93 29.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 62.8 t -119.88 121.27 65.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.41 ' CG ' HD22 ' A' ' 45' ' ' LEU . 40.3 ttm -95.58 125.7 40.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.757 ' HG2' HG23 ' A' ' 41' ' ' THR . 67.0 tt0 -109.52 130.95 55.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.663 HD11 HG23 ' A' ' 97' ' ' ILE . 8.2 mp -99.35 81.1 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.757 HG23 ' HG2' ' A' ' 39' ' ' GLU . 76.9 p -99.4 136.5 39.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' THR . 32.0 mt-30 -35.32 -39.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -58.36 -65.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -174.48 -177.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.538 HD11 HD21 ' A' ' 101' ' ' LEU . 16.0 mt -87.5 129.71 34.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.722 HG22 ' HG2' ' A' ' 56' ' ' ARG . 85.3 t -133.49 136.46 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.2 mt -100.84 163.96 12.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -132.0 110.8 11.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.52 -174.94 2.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -106.54 -62.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -93.05 -31.57 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -78.12 160.21 28.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -73.47 177.08 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.54 113.74 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.575 HG13 HG23 ' A' ' 82' ' ' THR . 43.7 t -92.38 130.55 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.722 ' HG2' HG22 ' A' ' 46' ' ' VAL . 44.8 mtp180 -125.2 166.53 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.595 ' CZ2' HG21 ' A' ' 82' ' ' THR . 10.2 m-90 -152.78 112.8 2.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.73 118.37 5.64 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.727 2.285 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 62' ' ' LEU . 23.6 m-85 -40.51 -26.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' PRO . 1.8 tt -64.97 -68.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ARG . 99.9 m -48.94 -42.12 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 59' ' ' TYR . 10.7 mt -33.77 95.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 61' ' ' CYS . 16.6 tpp180 -57.87 -57.58 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.869 ' HB2' HG21 ' B' ' 12' ' ' VAL . 8.4 ptp180 -146.18 145.93 30.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.568 ' O ' HG23 ' B' ' 12' ' ' VAL . 3.4 p90 -125.48 116.19 21.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.57 -178.83 20.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -153.27 163.32 40.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.921 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -159.74 160.68 34.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.0 m -41.5 -59.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -131.44 36.5 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.576 HD13 ' N ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -152.79 125.23 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.943 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.576 ' N ' HD13 ' A' ' 71' ' ' LEU . 68.5 t80 -134.76 115.03 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 t -127.02 165.94 18.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -149.96 155.73 40.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 75' ' ' GLU . 8.1 mp0 -97.13 155.08 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.6 p -146.33 133.49 20.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.11 -139.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 0.3 OUTLIER -123.07 -33.79 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.87 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -64.93 -13.66 57.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.2 p -68.75 -176.41 0.82 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.73 ' OE1' HG23 ' A' ' 82' ' ' THR . 2.8 tm0? -77.38 -55.25 5.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.73 HG23 ' OE1' ' A' ' 81' ' ' GLN . 4.0 p -61.94 -42.67 99.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.8 173.19 37.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -44.36 144.5 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 130.28 131.76 3.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.696 HG22 HD12 ' B' ' 4' ' ' LEU . 49.0 mt -90.77 126.72 43.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -111.69 126.51 55.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.682 ' HB2' HD11 ' B' ' 4' ' ' LEU . . . -105.64 158.12 16.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -144.97 150.72 37.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.668 ' HD2' HG11 ' A' ' 26' ' ' VAL . 48.9 mttt -104.86 138.37 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' ' 94' ' ' ALA . 22.5 p -163.08 -175.02 4.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.9 m -122.08 -23.34 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CZ ' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -107.36 32.65 4.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.43 ' HB2' ' SG ' ' A' ' 91' ' ' CYS . . . -48.88 -59.21 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -45.34 -46.75 13.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 40' ' ' LEU . 18.9 mt -69.58 -34.81 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -29.11 63.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -77.52 -31.94 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 45.4 tp -86.85 -35.13 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 45' ' ' LEU . 11.6 mt -47.56 -62.99 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -58.16 -29.53 65.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.26 -26.22 61.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.819 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.4 mt -91.73 -39.2 11.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 21.6 mtp -53.13 -54.26 38.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -49.49 -39.41 33.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.7 t -50.42 -30.98 13.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 m120 50.74 53.49 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.4 m -83.46 68.76 9.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.718 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.9 OUTLIER -81.59 -167.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.718 ' H ' HG22 ' A' ' 110' ' ' ILE . 2.8 m-20 -74.14 47.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 33.1 m -66.17 -35.25 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.9 mtt -55.71 178.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -39.04 102.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -171.07 160.73 5.45 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.612 0.72 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.29 11.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.401 ' C ' HD12 ' A' ' 118' ' ' ILE . 71.3 t -91.12 145.67 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 117' ' ' VAL . 5.3 mp -139.74 146.26 25.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.9 82.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.7 p -144.05 176.57 9.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -103.55 113.41 26.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -138.57 172.34 13.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.4 m -131.78 177.54 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -69.25 112.21 11.08 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -174.44 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.668 2.245 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -119.43 172.8 7.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -132.13 160.21 36.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.2 tp -73.29 136.42 44.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -75.05 -178.59 3.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 pp -115.91 155.46 47.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 168.7 20.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 132' ' ' ARG . 9.2 ttp-105 -100.97 156.34 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.88 151.48 4.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -168.72 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.296 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -119.9 149.32 48.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 150.67 68.48 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -164.46 0.13 Allowed 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.677 2.252 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -117.14 178.13 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -86.24 -177.49 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.3 tp -127.81 140.34 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -78.52 -144.59 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 31.6 t80 -155.38 171.73 19.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.956 0.408 . . . . 0.0 110.97 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 68.3 p -132.3 177.78 7.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.544 HG22 ' N ' ' A' ' 145' ' ' SER . 14.1 p -139.57 162.71 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.544 ' N ' HG22 ' A' ' 144' ' ' VAL . 67.3 m -95.69 178.19 5.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 27' ' ' ASP . 13.3 t80 -105.78 117.75 34.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . 0.568 ' O ' ' CE1' ' B' ' 2' ' ' PHE . 0.0 OUTLIER -67.87 149.28 50.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.696 HD12 HG22 ' A' ' 86' ' ' ILE . 15.9 mt -117.81 165.67 13.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -99.7 -44.84 5.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -136.61 155.43 49.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' B' ' 9' ' ' CYS . 0.8 OUTLIER -68.97 113.49 16.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.881 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 3.03 3.03 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.513 ' HB3' ' CD2' ' B' ' 7' ' ' PHE . 19.5 t -100.64 -74.68 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.9 -42.5 1.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -95.87 90.64 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.869 HG21 ' HB2' ' A' ' 64' ' ' ARG . 5.4 p -114.35 138.45 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' B' ' 14' ' ' TYR . 10.4 p-10 -97.72 81.38 2.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.447 ' C ' ' O ' ' B' ' 13' ' ' ASN . 10.0 m-85 -34.72 134.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -119.58 -67.66 0.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.419 ' CE2' ' HA ' ' A' ' 60' ' ' LEU . 39.4 m-85 -76.21 -40.41 52.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.944 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -66.25 96.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.97 144.74 56.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.991 . . . . . . . . 0 0 . 1 stop_ save_